CID 2756866

3-bromo-4'-chlorobenzophenone

Structural Information

Molecular Formula
C13H8BrClO
SMILES
C1=CC(=CC(=C1)Br)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H8BrClO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/h1-8H
InChIKey
JDSRHMLEPCMXHS-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

293.9447 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.95198 153.4
[M+Na]+ 316.93392 166.1
[M-H]- 292.93742 162.8
[M+NH4]+ 311.97852 173.4
[M+K]+ 332.90786 152.8
[M+H-H2O]+ 276.94196 153.8
[M+HCOO]- 338.94290 170.6
[M+CH3COO]- 352.95855 196.6
[M+Na-2H]- 314.91937 159.9
[M]+ 293.94415 173.8
[M]- 293.94525 173.8
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

patents stripe