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

68
Patents

170.03792 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.045196 129.7
[M+Na]+ 193.027138 139.0
[M-H]- 169.030644 131.5
[M+NH4]+ 188.071743 149.8
[M+K]+ 209.001078 137.6
[M+H-H2O]+ 153.035180 123.8
[M+HCOO]- 215.036121 152.0
[M+CH3COO]- 229.051771 176.0
[M+Na-2H]- 191.012586 134.8
[M]+ 170.03737142 129.9
[M]- 170.03846858 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