CID 69923

790-41-0

Structural Information

Molecular Formula
C14H8Cl2O3
SMILES
C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H8Cl2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
MWUSAETYTBNPDG-UHFFFAOYSA-N
Compound name
(4-chlorobenzoyl) 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
Patents

293.98505 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99233 157.9
[M+Na]+ 316.97427 167.7
[M-H]- 292.97777 164.5
[M+NH4]+ 312.01887 174.6
[M+K]+ 332.94821 162.2
[M+H-H2O]+ 276.98231 152.5
[M+HCOO]- 338.98325 171.9
[M+CH3COO]- 352.99890 197.4
[M+Na-2H]- 314.95972 161.2
[M]+ 293.98450 163.0
[M]- 293.98560 163.0
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