CID 101549661

(perfluorohexadecyl)hexadecene

Structural Information

Molecular Formula
C32H31F33
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1042.1898 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1043.1971 258.8
[M+Na]+ 1065.1790 259.7
[M-H]- 1041.1825 268.5
[M+NH4]+ 1060.2236 270.4
[M+K]+ 1081.1530 278.0
[M+H-H2O]+ 1025.1871 244.6
[M+HCOO]- 1087.1880 271.1
[M+CH3COO]- 1101.2037 290.0
[M+Na-2H]- 1063.1645 257.7
[M]+ 1042.1893 255.5
[M]- 1042.1903 255.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.