CID 2737364

5-fluoro-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
COC1=C(C=C(C=C1)F)C(=O)O
InChI
InChI=1S/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
WPXFJBPJUGMYOD-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

745
Patents

170.03792 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 132.8
[M+Na]+ 193.02714 144.4
[M+NH4]+ 188.07174 139.9
[M+K]+ 209.00108 139.6
[M-H]- 169.03064 132.3
[M+Na-2H]- 191.01259 138.1
[M]+ 170.03737 134.0
[M]- 170.03847 134.0
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

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