CID 86085706

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroheptacosane

Structural Information

Molecular Formula
C27H39F17
SMILES
CCCCCCCCCCCCCCCCCCCC(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/C27H39F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h2-19H2,1H3
InChIKey
FREOHYPICVRTKK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroheptacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

686.278 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.28528 222.3
[M+Na]+ 709.26722 225.7
[M-H]- 685.27072 221.8
[M+NH4]+ 704.31182 229.7
[M+K]+ 725.24116 239.1
[M+H-H2O]+ 669.27526 209.9
[M+HCOO]- 731.27620 237.3
[M+CH3COO]- 745.29185 272.6
[M+Na-2H]- 707.25267 214.6
[M]+ 686.27745 220.0
[M]- 686.27855 220.0
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.