CID 18946

4,4'-dichlorobenzil

Structural Information

Molecular Formula
C14H8Cl2O2
SMILES
C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
XMAWUPHYEABFDR-UHFFFAOYSA-N
Compound name
1,2-bis(4-chlorophenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

982
Patents

277.99014 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99742 154.8
[M+Na]+ 300.97936 164.5
[M-H]- 276.98286 161.2
[M+NH4]+ 296.02396 172.0
[M+K]+ 316.95330 158.3
[M+H-H2O]+ 260.98740 149.4
[M+HCOO]- 322.98834 168.4
[M+CH3COO]- 337.00399 196.6
[M+Na-2H]- 298.96481 158.0
[M]+ 277.98959 158.5
[M]- 277.99069 158.5
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