CID 10013044

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

Structural Information

Molecular Formula
C9H9ClO3
SMILES
CC(C1=CC=C(C=C1)Cl)(C(=O)O)O
InChI
InChI=1S/C9H9ClO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
InChIKey
CUDDZZCNPJYPBF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

200.02402 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 139.1
[M+Na]+ 223.01324 151.2
[M+NH4]+ 218.05784 146.6
[M+K]+ 238.98718 146.6
[M-H]- 199.01674 139.0
[M+Na-2H]- 220.99869 144.7
[M]+ 200.02347 141.0
[M]- 200.02457 141.0
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