CID 69644346

3-fluoro-2-hydroxyphenylacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe