N,n'-(propane-1,3-diyl)bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide) (C19H8F30N2O2)

Structural Information

Molecular Formula

SMILES

C(CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C19H8F30N2O2/c20-6(21,8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)46)4(52)50-2-1-3-51-5(53)7(22,23)9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(47,48)49/h1-3H2,(H,50,52)(H,51,53)

InChIKey

DVEYKCZOFBIPNL-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	867.017976	220.0
[M+Na]+	888.999918	224.0
[M-H]-	865.003424	236.0
[M+NH4]+	884.044523	233.2
[M+K]+	904.973858	238.9
[M+H-H2O]+	849.007960	206.3
[M+HCOO]-	911.008901	231.5
[M+CH3COO]-	925.024551	278.2
[M+Na-2H]-	886.985366	221.9
[M]+	866.01015142	214.3
[M]-	866.01124858	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

867.017976

220.0

[M+Na]+

888.999918

224.0

[M-H]-

865.003424

236.0

[M+NH4]+

884.044523

233.2

[M+K]+

904.973858

238.9

[M+H-H2O]+

849.007960

206.3

[M+HCOO]-

911.008901

231.5

[M+CH3COO]-

925.024551

278.2

[M+Na-2H]-

886.985366

221.9

[M]+

866.01015142

214.3

[M]-

866.01124858

214.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N,n'-(propane-1,3-diyl)bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe