CID 2773835

3-chloro-2,4,5,6-tetrafluorobenzoic acid

Structural Information

Molecular Formula
C7HClF4O2
SMILES
C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(=O)O
InChI
InChI=1S/C7HClF4O2/c8-2-3(9)1(7(13)14)4(10)6(12)5(2)11/h(H,13,14)
InChIKey
FYAPWZAOGRABCC-UHFFFAOYSA-N
Compound name
3-chloro-2,4,5,6-tetrafluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.96011 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96739 131.5
[M+Na]+ 250.94933 144.9
[M-H]- 226.95283 130.2
[M+NH4]+ 245.99393 150.8
[M+K]+ 266.92327 139.9
[M+H-H2O]+ 210.95737 124.8
[M+HCOO]- 272.95831 146.2
[M+CH3COO]- 286.97396 187.6
[M+Na-2H]- 248.93478 133.2
[M]+ 227.95956 129.7
[M]- 227.96066 129.7
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