(perfluorohexadecyl)hexadecene (C32H31F33)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC/C=C/C(C(C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C32H31F33/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(33,34)18(35,36)19(37,38)20(39,40)21(41,42)22(43,44)23(45,46)24(47,48)25(49,50)26(51,52)27(53,54)28(55,56)29(57,58)30(59,60)31(61,62)32(63,64)65/h15-16H,2-14H2,1H3/b16-15+

InChIKey

RNUFZQIMZNISDJ-FOCLMDBBSA-N

Compound name

(E)-17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,32-tritriacontafluorodotriacont-15-ene

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]+	1043.197076	258.8
[M+Na]+	1065.179018	259.7
[M-H]-	1041.182524	268.5
[M+NH4]+	1060.223623	270.4
[M+K]+	1081.152958	278.0
[M+H-H2O]+	1025.187060	244.6
[M+HCOO]-	1087.188001	271.1
[M+CH3COO]-	1101.203651	290.0
[M+Na-2H]-	1063.164466	257.7
[M]+	1042.18925142	255.5
[M]-	1042.19034858	255.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1043.197076

258.8

[M+Na]+

1065.179018

259.7

[M-H]-

1041.182524

268.5

[M+NH4]+

1060.223623

270.4

[M+K]+

1081.152958

278.0

[M+H-H2O]+

1025.187060

244.6

[M+HCOO]-

1087.188001

271.1

[M+CH3COO]-

1101.203651

290.0

[M+Na-2H]-

1063.164466

257.7

[M]+

1042.18925142

255.5

[M]-

1042.19034858

255.5

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

(perfluorohexadecyl)hexadecene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe