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 159.2
[M+Na]+ 318.98992 168.3
[M-H]- 294.99342 163.3
[M+NH4]+ 314.03452 174.6
[M+K]+ 334.96386 161.8
[M+H-H2O]+ 278.99796 154.7
[M+HCOO]- 340.99890 169.4
[M+CH3COO]- 355.01455 194.1
[M+Na-2H]- 316.97537 163.6
[M]+ 296.00015 161.6
[M]- 296.00125 161.6
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