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

88
Patents

184.05357 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe