CID 7034

4,4'-dichlorobenzophenone

Structural Information

Molecular Formula
C13H8Cl2O
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
OKISUZLXOYGIFP-UHFFFAOYSA-N
Compound name
bis(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

18838
Patents

249.99522 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.002496 149.0
[M+Na]+ 272.984438 159.2
[M-H]- 248.987944 155.3
[M+NH4]+ 268.029043 167.5
[M+K]+ 288.958378 152.7
[M+H-H2O]+ 232.992480 143.7
[M+HCOO]- 294.993421 163.4
[M+CH3COO]- 309.009071 191.7
[M+Na-2H]- 270.969886 153.8
[M]+ 249.99467142 152.1
[M]- 249.99576858 152.1
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