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

No literature data available for this compound.

Patent stripe

patents stripe