Einecs 281-726-7 (C23H14F34O2)

Structural Information

Molecular Formula

SMILES

C(CCOC(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)CCOC(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F

InChI

InChI=1S/C23H14F34O2/c24-6(10(30,31)16(42,43)20(50,51)22(54,55)18(46,47)12(34,35)8(26)27)14(38,39)58-4-2-1-3-5-59-15(40,41)7(25)11(32,33)17(44,45)21(52,53)23(56,57)19(48,49)13(36,37)9(28)29/h6-9H,1-5H2

InChIKey

XNSOLRHTPYHXAP-UHFFFAOYSA-N

Compound name

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[5-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)pentoxy]nonane

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]+	969.052376	246.8
[M+Na]+	991.034318	248.8
[M-H]-	967.037824	259.1
[M+NH4]+	986.078923	260.8
[M+K]+	1007.008258	265.8
[M+H-H2O]+	951.042360	235.6
[M+HCOO]-	1013.043301	254.5
[M+CH3COO]-	1027.058951	283.5
[M+Na-2H]-	989.019766	247.6
[M]+	968.04455142	241.5
[M]-	968.04564858	241.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

969.052376

246.8

[M+Na]+

991.034318

248.8

[M-H]-

967.037824

259.1

[M+NH4]+

986.078923

260.8

[M+K]+

1007.008258

265.8

[M+H-H2O]+

951.042360

235.6

[M+HCOO]-

1013.043301

254.5

[M+CH3COO]-

1027.058951

283.5

[M+Na-2H]-

989.019766

247.6

[M]+

968.04455142

241.5

[M]-

968.04564858

241.5

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

Einecs 281-726-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe