CID 12606310

2-(4-chlorophenyl)-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C9H9ClO3
SMILES
C1=CC(=CC=C1C(CO)C(=O)O)Cl
InChI
InChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)8(5-11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKey
CKIPXLZSJUHFDD-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

200.02402 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 137.9
[M+Na]+ 223.01324 145.9
[M-H]- 199.01674 139.1
[M+NH4]+ 218.05784 156.6
[M+K]+ 238.98718 142.1
[M+H-H2O]+ 183.02128 133.8
[M+HCOO]- 245.02222 153.9
[M+CH3COO]- 259.03787 178.1
[M+Na-2H]- 220.99869 141.6
[M]+ 200.02347 138.9
[M]- 200.02457 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe