CID 85651307

2h-perfluorooctanoic acid

Structural Information

Molecular Formula
C8H2F14O2
SMILES
C(C(=O)O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F14O2/c9-1(2(23)24)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1H,(H,23,24)
InChIKey
CLSJUWFCSPJRFC-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

395.98312 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.99040 168.4
[M+Na]+ 418.97234 177.2
[M-H]- 394.97584 152.4
[M+NH4]+ 414.01694 157.6
[M+K]+ 434.94628 174.4
[M+H-H2O]+ 378.98038 155.0
[M+HCOO]- 440.98132 166.0
[M+CH3COO]- 454.99697 218.1
[M+Na-2H]- 416.95779 169.6
[M]+ 395.98257 146.1
[M]- 395.98367 146.1
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