CID 160456

3-fluoro-4-hydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

942
Patents

156.02228 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.029556 125.6
[M+Na]+ 179.011498 134.8
[M-H]- 155.015004 126.1
[M+NH4]+ 174.056103 145.5
[M+K]+ 194.985438 132.7
[M+H-H2O]+ 139.019540 120.1
[M+HCOO]- 201.020481 146.6
[M+CH3COO]- 215.036131 171.1
[M+Na-2H]- 176.996946 130.7
[M]+ 156.02173142 123.6
[M]- 156.02282858 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