CID 46311142

Methyl 3-fluoro-5-hydroxybenzoate

Structural Information

Molecular Formula
C8H7FO3
SMILES
COC(=O)C1=CC(=CC(=C1)F)O
InChI
InChI=1S/C8H7FO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3
InChIKey
DIIVOKPOASIMNV-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-5-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

170.03792 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 129.7
[M+Na]+ 193.02714 139.0
[M-H]- 169.03064 131.5
[M+NH4]+ 188.07174 149.8
[M+K]+ 209.00108 137.6
[M+H-H2O]+ 153.03518 123.8
[M+HCOO]- 215.03612 152.0
[M+CH3COO]- 229.05177 176.0
[M+Na-2H]- 191.01259 134.8
[M]+ 170.03737 129.9
[M]- 170.03847 129.9
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