CID 329060

2,2'-dichlorobenzilic acid

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=CC=C(C(=C1)C(C2=CC=CC=C2Cl)(C(=O)O)O)Cl
InChI
InChI=1S/C14H10Cl2O3/c15-11-7-3-1-5-9(11)14(19,13(17)18)10-6-2-4-8-12(10)16/h1-8,19H,(H,17,18)
InChIKey
OJYHUFNZIWRMPT-UHFFFAOYSA-N
Compound name
2,2-bis(2-chlorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

296.0007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00798 162.7
[M+Na]+ 318.98992 177.6
[M+NH4]+ 314.03452 170.7
[M+K]+ 334.96386 170.7
[M-H]- 294.99342 165.2
[M+Na-2H]- 316.97537 170.8
[M]+ 296.00015 166.3
[M]- 296.00125 166.3
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