Perfluorotriheptyl amine (C21F45N)

Structural Information

Molecular Formula

SMILES

C(C(C(C(N(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C21F45N/c22-1(23,4(28,29)10(40,41)16(52,53)54)7(34,35)13(46,47)19(61,62)67(20(63,64)14(48,49)8(36,37)2(24,25)5(30,31)11(42,43)17(55,56)57)21(65,66)15(50,51)9(38,39)3(26,27)6(32,33)12(44,45)18(58,59)60

InChIKey

RMGBHIBODLZTAX-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)heptan-1-amine

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]+	1121.938576	262.1
[M+Na]+	1143.920518	263.7
[M-H]-	1119.924024	274.8
[M+NH4]+	1138.965123	272.0
[M+K]+	1159.894458	276.6
[M+H-H2O]+	1103.928560	253.0
[M+HCOO]-	1165.929501	271.7
[M+CH3COO]-	1179.945151	275.6
[M+Na-2H]-	1141.905966	267.1
[M]+	1120.93075142	252.3
[M]-	1120.93184858	252.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1121.938576

262.1

[M+Na]+

1143.920518

263.7

[M-H]-

1119.924024

274.8

[M+NH4]+

1138.965123

272.0

[M+K]+

1159.894458

276.6

[M+H-H2O]+

1103.928560

253.0

[M+HCOO]-

1165.929501

271.7

[M+CH3COO]-

1179.945151

275.6

[M+Na-2H]-

1141.905966

267.1

[M]+

1120.93075142

252.3

[M]-

1120.93184858

252.3

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

Perfluorotriheptyl amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe