CID 67658

5-fluorosalicylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

17
References

1387
Patents

156.02228 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe