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

1449
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 128.5
[M+Na]+ 216.98830 140.2
[M-H]- 192.99180 127.0
[M+NH4]+ 212.03290 147.9
[M+K]+ 232.96224 137.2
[M+H-H2O]+ 176.99634 120.5
[M+HCOO]- 238.99728 147.6
[M+CH3COO]- 253.01293 182.5
[M+Na-2H]- 214.97375 131.0
[M]+ 193.99853 124.1
[M]- 193.99963 124.1
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