CID 11228924

3-fluoro-5-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5FO3
SMILES
C1=C(C=C(C=C1O)F)C(=O)O
InChI
InChI=1S/C7H5FO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
InChIKey
PYZWGHVZOQTMCW-UHFFFAOYSA-N
Compound name
3-fluoro-5-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

182
Patents

156.02228 Da
Monoisotopic Mass

1.3
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