CID 19361978

2-(2-fluoro-4-methoxyphenyl)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

184.05357 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.060846 134.2
[M+Na]+ 207.042788 143.1
[M-H]- 183.046294 135.8
[M+NH4]+ 202.087393 153.7
[M+K]+ 223.016728 141.3
[M+H-H2O]+ 167.050830 128.1
[M+HCOO]- 229.051771 156.1
[M+CH3COO]- 243.067421 179.7
[M+Na-2H]- 205.028236 138.8
[M]+ 184.05302142 134.9
[M]- 184.05411858 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

No literature data available for this compound.

Patent stripe

patents stripe