CID 10013044

4445-13-0

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

44
Patents

200.02402 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.031296 137.8
[M+Na]+ 223.013238 146.5
[M-H]- 199.016744 139.3
[M+NH4]+ 218.057843 156.8
[M+K]+ 238.987178 142.7
[M+H-H2O]+ 183.021280 134.3
[M+HCOO]- 245.022221 153.3
[M+CH3COO]- 259.037871 177.5
[M+Na-2H]- 220.998686 143.6
[M]+ 200.02347142 139.0
[M]- 200.02456858 139.0
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