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

36
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 137.8
[M+Na]+ 223.01324 146.5
[M-H]- 199.01674 139.3
[M+NH4]+ 218.05784 156.8
[M+K]+ 238.98718 142.7
[M+H-H2O]+ 183.02128 134.3
[M+HCOO]- 245.02222 153.3
[M+CH3COO]- 259.03787 177.5
[M+Na-2H]- 220.99869 143.6
[M]+ 200.02347 139.0
[M]- 200.02457 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