CID 3119453

2,4-dichlorophenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C13H6Cl4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H6Cl4O2/c14-7-1-3-9(10(16)5-7)13(18)19-12-4-2-8(15)6-11(12)17/h1-6H
InChIKey
SAZLCOPORPECEL-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.9122 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.91948 163.0
[M+Na]+ 356.90142 174.1
[M-H]- 332.90492 166.9
[M+NH4]+ 351.94602 178.3
[M+K]+ 372.87536 167.8
[M+H-H2O]+ 316.90946 159.1
[M+HCOO]- 378.91040 166.6
[M+CH3COO]- 392.92605 205.9
[M+Na-2H]- 354.88687 164.1
[M]+ 333.91165 167.7
[M]- 333.91275 167.7
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

No patent data available for this compound.