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

46
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 133.2
[M+Na]+ 193.02714 144.2
[M+NH4]+ 188.07174 139.9
[M+K]+ 209.00108 139.7
[M-H]- 169.03064 132.1
[M+Na-2H]- 191.01259 137.8
[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

literature stripe

Patent stripe

patents stripe