CID 22048328

2-fluoro-2-(3-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H9FO3
SMILES
COC1=CC=CC(=C1)C(C(=O)O)F
InChI
InChI=1S/C9H9FO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
InChIKey
HJSYGONMQHOAKJ-UHFFFAOYSA-N
Compound name
2-fluoro-2-(3-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

184.05357 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 135.1
[M+Na]+ 207.04279 142.7
[M-H]- 183.04629 136.4
[M+NH4]+ 202.08739 154.2
[M+K]+ 223.01673 141.4
[M+H-H2O]+ 167.05083 128.8
[M+HCOO]- 229.05177 156.0
[M+CH3COO]- 243.06742 179.4
[M+Na-2H]- 205.02824 139.1
[M]+ 184.05302 134.7
[M]- 184.05412 134.7
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