CID 67661

4-fluoro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5FO3
SMILES
C1=CC(=C(C=C1F)O)C(=O)O
InChI
InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey
TTZOLDXHOCCNMF-UHFFFAOYSA-N
Compound name
4-fluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2029
Patents

156.02228 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02956 128.6
[M+Na]+ 179.01150 139.9
[M+NH4]+ 174.05610 135.5
[M+K]+ 194.98544 135.7
[M-H]- 155.01500 127.6
[M+Na-2H]- 176.99695 133.6
[M]+ 156.02173 129.6
[M]- 156.02283 129.6
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