CID 83441848

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

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
C1=C(C=C(C=C1Cl)Cl)CC(C(=O)O)O
InChI
InChI=1S/C9H8Cl2O3/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8,12H,3H2,(H,13,14)
InChIKey
WAPRDUNGVFMJAK-UHFFFAOYSA-N
Compound name
3-(3,5-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]+ 234.99233 143.8
[M+Na]+ 256.97427 156.6
[M+NH4]+ 252.01887 151.4
[M+K]+ 272.94821 151.2
[M-H]- 232.97777 143.9
[M+Na-2H]- 254.95972 148.9
[M]+ 233.98450 146.1
[M]- 233.98560 146.1
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.