CID 3039334

O-toluic acid, alpha-(3,4-dichlorobenzoyl)-

Structural Information

Molecular Formula
C15H10Cl2O3
SMILES
C1=CC=C(C(=C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C15H10Cl2O3/c16-12-6-5-10(7-13(12)17)14(18)8-9-3-1-2-4-11(9)15(19)20/h1-7H,8H2,(H,19,20)
InChIKey
YCYHVZWPNDQZAM-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0007 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.00798 161.6
[M+Na]+ 330.98992 171.2
[M-H]- 306.99342 166.9
[M+NH4]+ 326.03452 177.1
[M+K]+ 346.96386 164.8
[M+H-H2O]+ 290.99796 156.5
[M+HCOO]- 352.99890 173.7
[M+CH3COO]- 367.01455 200.3
[M+Na-2H]- 328.97537 163.3
[M]+ 308.00015 165.7
[M]- 308.00125 165.7
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

No patent data available for this compound.