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
1
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 156.4
[M+Na]+ 709.26722 156.5
[M+NH4]+ 704.31182 156.6
[M+K]+ 725.24116 156.6
[M-H]- 685.27072 156.3
[M+Na-2H]- 707.25267 156.1
[M]+ 686.27745 156.4
[M]- 686.27855 156.4
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.