CID 525563

Heptafluorobutyric acid, n-tetradecyl ester

Structural Information

Molecular Formula
C18H29F7O2
SMILES
CCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H29F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15(26)16(19,20)17(21,22)18(23,24)25/h2-14H2,1H3
InChIKey
QIUJCCVBRUUHMI-UHFFFAOYSA-N
Compound name
tetradecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.20557 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21285 205.1
[M+Na]+ 433.19479 205.7
[M+NH4]+ 428.23939 204.3
[M+K]+ 449.16873 201.3
[M-H]- 409.19829 195.5
[M+Na-2H]- 431.18024 200.5
[M]+ 410.20502 202.0
[M]- 410.20612 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.