CID 15272404

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

Structural Information

Molecular Formula
C9H9ClO3
SMILES
C1=CC(=CC=C1CC(C(=O)O)O)Cl
InChI
InChI=1S/C9H9ClO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKey
HWVHXAYPEXNZSZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

200.02402 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe