CID 99842

2-(3,4-dichlorophenyl)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)(C(=O)O)O
InChI
InChI=1S/C9H8Cl2O3/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,14H,1H3,(H,12,13)
InChIKey
SITLKJHBGQMYGI-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

233.98505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 142.1
[M+Na]+ 256.974268 152.0
[M-H]- 232.977774 143.4
[M+NH4]+ 252.018873 160.3
[M+K]+ 272.948208 146.8
[M+H-H2O]+ 216.982310 139.6
[M+HCOO]- 278.983251 152.5
[M+CH3COO]- 292.998901 183.5
[M+Na-2H]- 254.959716 146.6
[M]+ 233.98450142 144.7
[M]- 233.98559858 144.7
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