CID 536141

111918-97-9

Structural Information

Molecular Formula
C24H33F15O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H33F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(40)41-16-18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)39/h2-16H2,1H3
InChIKey
UVEQCEJZVJUIQQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

638.2241 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.23138 210.9
[M+Na]+ 661.21332 215.4
[M-H]- 637.21682 212.6
[M+NH4]+ 656.25792 220.3
[M+K]+ 677.18726 226.3
[M+H-H2O]+ 621.22136 200.8
[M+HCOO]- 683.22230 225.6
[M+CH3COO]- 697.23795 263.3
[M+Na-2H]- 659.19877 204.1
[M]+ 638.22355 209.0
[M]- 638.22465 209.0
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.