CID 297549

2,3,4,5-tetrafluorobenzoic acid

Structural Information

Molecular Formula
C7H2F4O2
SMILES
C1=C(C(=C(C(=C1F)F)F)F)C(=O)O
InChI
InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChIKey
SFKRXQKJTIYUAG-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrafluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1353
Patents

193.99908 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00636 145.2
[M+Na]+ 216.98830 153.9
[M+NH4]+ 212.03290 149.6
[M+K]+ 232.96224 149.4
[M-H]- 192.99180 140.7
[M+Na-2H]- 214.97375 147.4
[M]+ 193.99853 144.8
[M]- 193.99963 144.8
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