CID 129984006

4-chloro-3-fluoro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4ClFO3
SMILES
C1=CC(=C(C(=C1C(=O)O)O)F)Cl
InChI
InChI=1S/C7H4ClFO3/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2,10H,(H,11,12)
InChIKey
VMGOWVXQNVKYON-UHFFFAOYSA-N
Compound name
4-chloro-3-fluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.9833 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99058 129.4
[M+Na]+ 212.97252 140.4
[M-H]- 188.97602 130.2
[M+NH4]+ 208.01712 149.1
[M+K]+ 228.94646 136.3
[M+H-H2O]+ 172.98056 125.2
[M+HCOO]- 234.98150 146.0
[M+CH3COO]- 248.99715 176.3
[M+Na-2H]- 210.95797 133.6
[M]+ 189.98275 130.0
[M]- 189.98385 130.0
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

No patent data available for this compound.