CID 7019368

Methyl 3-fluoro-4-hydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

170.03792 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 132.9
[M+Na]+ 193.02714 144.6
[M+NH4]+ 188.07174 140.0
[M+K]+ 209.00108 139.8
[M-H]- 169.03064 132.4
[M+Na-2H]- 191.01259 138.2
[M]+ 170.03737 134.2
[M]- 170.03847 134.2
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