CID 521176

(3-fluoro-4-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H9FO3
SMILES
COC1=C(C=C(C=C1)CC(=O)O)F
InChI
InChI=1S/C9H9FO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
VURNBRZIFABCRU-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

196
Patents

184.05357 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 134.2
[M+Na]+ 207.04279 143.1
[M-H]- 183.04629 135.8
[M+NH4]+ 202.08739 153.7
[M+K]+ 223.01673 141.3
[M+H-H2O]+ 167.05083 128.1
[M+HCOO]- 229.05177 156.1
[M+CH3COO]- 243.06742 179.7
[M+Na-2H]- 205.02824 138.8
[M]+ 184.05302 134.9
[M]- 184.05412 134.9
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