CID 347097

2,2'-dichlorobenzophenone

Structural Information

Molecular Formula
C13H8Cl2O
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C13H8Cl2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H
InChIKey
DRDRZHJTTDSOPK-UHFFFAOYSA-N
Compound name
bis(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2345
Patents

249.99522 Da
Monoisotopic Mass

4.5
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

literature stripe

Patent stripe

patents stripe