N,n'-bis(perfluorooctanoyl)-1,2-cyclohexanediamine (C22H16F30N2O2)

Structural Information

Molecular Formula

SMILES

C1CCC(C(C1)NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C22H16F30N2O2/c23-9(24,11(27,28)13(31,32)15(35,36)17(39,40)19(43,44)21(47,48)49)7(55)53-5-3-1-2-4-6(5)54-8(56)10(25,26)12(29,30)14(33,34)16(37,38)18(41,42)20(45,46)22(50,51)52/h5-8,53-56H,1-4H2

InChIKey

XXSCNRBBJCKWNZ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-[[2-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-hydroxyoctyl)amino]cyclohexyl]amino]octan-1-ol

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]+	911.080516	222.7
[M+Na]+	933.062458	225.4
[M-H]-	909.065964	237.4
[M+NH4]+	928.107063	233.0
[M+K]+	949.036398	240.1
[M+H-H2O]+	893.070500	208.2
[M+HCOO]-	955.071441	234.2
[M+CH3COO]-	969.087091	281.6
[M+Na-2H]-	931.047906	223.1
[M]+	910.07269142	215.7
[M]-	910.07378858	215.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

911.080516

222.7

[M+Na]+

933.062458

225.4

[M-H]-

909.065964

237.4

[M+NH4]+

928.107063

233.0

[M+K]+

949.036398

240.1

[M+H-H2O]+

893.070500

208.2

[M+HCOO]-

955.071441

234.2

[M+CH3COO]-

969.087091

281.6

[M+Na-2H]-

931.047906

223.1

[M]+

910.07269142

215.7

[M]-

910.07378858

215.7

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

N,n'-bis(perfluorooctanoyl)-1,2-cyclohexanediamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe