CID 11542885

At40553

Structural Information

Molecular Formula
C9H9FO3
SMILES
COC(=O)[C@H](C1=CC(=CC=C1)F)O
InChI
InChI=1S/C9H9FO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8,11H,1H3/t8-/m0/s1
InChIKey
RSFWEOSCXQYXQZ-QMMMGPOBSA-N
Compound name
methyl (2S)-2-(3-fluorophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.05357 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 135.3
[M+Na]+ 207.04279 143.0
[M-H]- 183.04629 136.6
[M+NH4]+ 202.08739 154.5
[M+K]+ 223.01673 141.7
[M+H-H2O]+ 167.05083 129.0
[M+HCOO]- 229.05177 156.2
[M+CH3COO]- 243.06742 178.8
[M+Na-2H]- 205.02824 139.3
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.