CID 65809712

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

200.02402 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.031296 137.9
[M+Na]+ 223.013238 145.9
[M-H]- 199.016744 139.1
[M+NH4]+ 218.057843 156.6
[M+K]+ 238.987178 142.1
[M+H-H2O]+ 183.021280 133.8
[M+HCOO]- 245.022221 153.9
[M+CH3COO]- 259.037871 178.1
[M+Na-2H]- 220.998686 141.6
[M]+ 200.02347142 138.9
[M]- 200.02456858 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