CID 593635

4-fluoro-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5FO3
SMILES
C1=CC(=C(C=C1C(=O)O)O)F
InChI
InChI=1S/C7H5FO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKey
QATKOZUHTGAWMG-UHFFFAOYSA-N
Compound name
4-fluoro-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

775
Patents

156.02228 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02956 125.6
[M+Na]+ 179.01150 134.8
[M-H]- 155.01500 126.1
[M+NH4]+ 174.05610 145.5
[M+K]+ 194.98544 132.7
[M+H-H2O]+ 139.01954 120.1
[M+HCOO]- 201.02048 146.6
[M+CH3COO]- 215.03613 171.1
[M+Na-2H]- 176.99695 130.7
[M]+ 156.02173 123.6
[M]- 156.02283 123.6
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