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

39
Patents

296.0007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.007976 159.2
[M+Na]+ 318.989918 168.3
[M-H]- 294.993424 163.3
[M+NH4]+ 314.034523 174.6
[M+K]+ 334.963858 161.8
[M+H-H2O]+ 278.997960 154.7
[M+HCOO]- 340.998901 169.4
[M+CH3COO]- 355.014551 194.1
[M+Na-2H]- 316.975366 163.6
[M]+ 296.00015142 161.6
[M]- 296.00124858 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