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]+ 215.04695 142.5
[M+Na]+ 237.02889 150.8
[M-H]- 213.03239 143.9
[M+NH4]+ 232.07349 160.9
[M+K]+ 253.00283 146.8
[M+H-H2O]+ 197.03693 138.8
[M+HCOO]- 259.03787 157.6
[M+CH3COO]- 273.05352 180.5
[M+Na-2H]- 235.01434 147.8
[M]+ 214.03912 144.1
[M]- 214.04022 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.