CID 793356

2-(3,4-dichlorobenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H8Cl2O3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H8Cl2O3/c15-11-6-5-8(7-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChIKey
ASSUNYJRBMKLBJ-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

37
Patents

293.98505 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99233 156.9
[M+Na]+ 316.97427 166.9
[M-H]- 292.97777 162.4
[M+NH4]+ 312.01887 173.0
[M+K]+ 332.94821 160.7
[M+H-H2O]+ 276.98231 152.0
[M+HCOO]- 338.98325 169.4
[M+CH3COO]- 352.99890 197.4
[M+Na-2H]- 314.95972 159.1
[M]+ 293.98450 160.7
[M]- 293.98560 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe