CID 20062106

2-(4-fluorophenyl)-2-methoxyacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
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 135.1
[M+Na]+ 207.042788 142.7
[M-H]- 183.046294 136.4
[M+NH4]+ 202.087393 154.2
[M+K]+ 223.016728 141.4
[M+H-H2O]+ 167.050830 128.8
[M+HCOO]- 229.051771 156.0
[M+CH3COO]- 243.067421 179.4
[M+Na-2H]- 205.028236 139.1
[M]+ 184.05302142 134.7
[M]- 184.05411858 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

No literature data available for this compound.

Patent stripe

patents stripe