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

18746
Patents

249.99522 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00250 149.0
[M+Na]+ 272.98444 159.2
[M-H]- 248.98794 155.3
[M+NH4]+ 268.02904 167.5
[M+K]+ 288.95838 152.7
[M+H-H2O]+ 232.99248 143.7
[M+HCOO]- 294.99342 163.4
[M+CH3COO]- 309.00907 191.7
[M+Na-2H]- 270.96989 153.8
[M]+ 249.99467 152.1
[M]- 249.99577 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.