CID 3014940

8-chloroperfluorooctanoic acid

Structural Information

Molecular Formula
C8HClF14O2
SMILES
C(=O)(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HClF14O2/c9-8(22,23)7(20,21)6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(24)25/h(H,24,25)
InChIKey
FUSBVOVTUYPKLS-UHFFFAOYSA-N
Compound name
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

429.94415 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.95143 170.2
[M+Na]+ 452.93337 180.0
[M-H]- 428.93687 159.4
[M+NH4]+ 447.97797 160.8
[M+K]+ 468.90731 175.4
[M+H-H2O]+ 412.94141 157.7
[M+HCOO]- 474.94235 171.7
[M+CH3COO]- 488.95800 221.9
[M+Na-2H]- 450.91882 173.9
[M]+ 429.94360 150.2
[M]- 429.94470 150.2
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

patents stripe