CID 11542885

Methyl (2s)-2-(3-fluorophenyl)-2-hydroxyacetate

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]+ 185.060846 135.3
[M+Na]+ 207.042788 143.0
[M-H]- 183.046294 136.6
[M+NH4]+ 202.087393 154.5
[M+K]+ 223.016728 141.7
[M+H-H2O]+ 167.050830 129.0
[M+HCOO]- 229.051771 156.2
[M+CH3COO]- 243.067421 178.8
[M+Na-2H]- 205.028236 139.3
[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

No patent data available for this compound.