CID 65944987

3-(2,5-dichlorophenyl)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
C1=CC(=C(C=C1Cl)CC(C(=O)O)O)Cl
InChI
InChI=1S/C9H8Cl2O3/c10-6-1-2-7(11)5(3-6)4-8(12)9(13)14/h1-3,8,12H,4H2,(H,13,14)
InChIKey
SVGGGMJRMOKFNM-UHFFFAOYSA-N
Compound name
3-(2,5-dichlorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.98505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 141.4
[M+Na]+ 256.974268 150.7
[M-H]- 232.977774 142.5
[M+NH4]+ 252.018873 159.6
[M+K]+ 272.948208 145.6
[M+H-H2O]+ 216.982310 138.6
[M+HCOO]- 278.983251 152.6
[M+CH3COO]- 292.998901 184.0
[M+Na-2H]- 254.959716 144.0
[M]+ 233.98450142 144.0
[M]- 233.98559858 144.0
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

No patent data available for this compound.