CID 521858

2,4-dichlorophenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C13H7Cl3O2
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl3O2/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7H
InChIKey
PMRFDDONDWDTFW-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.95117 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.95845 157.3
[M+Na]+ 322.94039 168.2
[M-H]- 298.94389 162.7
[M+NH4]+ 317.98499 174.1
[M+K]+ 338.91433 161.8
[M+H-H2O]+ 282.94843 152.7
[M+HCOO]- 344.94937 166.5
[M+CH3COO]- 358.96502 199.3
[M+Na-2H]- 320.92584 160.4
[M]+ 299.95062 162.4
[M]- 299.95172 162.4
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.