CID 14804238

149029-89-0

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC(=C(C=C1O)CC(=O)O)F
InChI
InChI=1S/C8H7FO3/c9-7-2-1-6(10)3-5(7)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
JYONQRRWNUZCKV-UHFFFAOYSA-N
Compound name
2-(2-fluoro-5-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

170.03792 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 130.3
[M+Na]+ 193.02714 139.1
[M-H]- 169.03064 130.6
[M+NH4]+ 188.07174 149.6
[M+K]+ 209.00108 136.7
[M+H-H2O]+ 153.03518 124.6
[M+HCOO]- 215.03612 151.0
[M+CH3COO]- 229.05177 174.2
[M+Na-2H]- 191.01259 134.9
[M]+ 170.03737 128.7
[M]- 170.03847 128.7
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