CID 69671502

4-fluoro-2-hydroxy-5-methylbenzoic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
CC1=CC(=C(C=C1F)O)C(=O)O
InChI
InChI=1S/C8H7FO3/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,10H,1H3,(H,11,12)
InChIKey
WKBAICHSAUPAIF-UHFFFAOYSA-N
Compound name
4-fluoro-2-hydroxy-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 133.1
[M+Na]+ 193.02714 144.5
[M+NH4]+ 188.07174 139.8
[M+K]+ 209.00108 140.2
[M-H]- 169.03064 132.0
[M+Na-2H]- 191.01259 137.5
[M]+ 170.03737 134.1
[M]- 170.03847 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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