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

48
Patents

170.03792 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.045196 130.3
[M+Na]+ 193.027138 139.1
[M-H]- 169.030644 130.6
[M+NH4]+ 188.071743 149.6
[M+K]+ 209.001078 136.7
[M+H-H2O]+ 153.035180 124.6
[M+HCOO]- 215.036121 151.0
[M+CH3COO]- 229.051771 174.2
[M+Na-2H]- 191.012586 134.9
[M]+ 170.03737142 128.7
[M]- 170.03846858 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