CID 49758830

2546-41-0

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC(=C(C=C1F)CC(=O)O)O
InChI
InChI=1S/C8H7FO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
YJLZIZGUWODUEI-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

literature stripe

Patent stripe

patents stripe