CID 61238172

2-(3-chlorophenyl)-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CCC(C1=CC(=CC=C1)Cl)(C(=O)O)O
InChI
InChI=1S/C10H11ClO3/c1-2-10(14,9(12)13)7-4-3-5-8(11)6-7/h3-6,14H,2H2,1H3,(H,12,13)
InChIKey
UBAZPZJVHDVJLY-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03967 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.046946 142.5
[M+Na]+ 237.028888 150.8
[M-H]- 213.032394 143.9
[M+NH4]+ 232.073493 160.9
[M+K]+ 253.002828 146.8
[M+H-H2O]+ 197.036930 138.8
[M+HCOO]- 259.037871 157.6
[M+CH3COO]- 273.053521 180.5
[M+Na-2H]- 235.014336 147.8
[M]+ 214.03912142 144.1
[M]- 214.04021858 144.1
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.