CID 478903

4-(p-bromophenyl)-4'-chlorobenzophenone

Structural Information

Molecular Formula
C19H12BrClO
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H12BrClO/c20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16/h1-12H
InChIKey
HUKGFXRPOYQFSQ-UHFFFAOYSA-N
Compound name
[4-(4-bromophenyl)phenyl]-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

369.976 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.98328 176.3
[M+Na]+ 392.96522 188.2
[M-H]- 368.96872 188.2
[M+NH4]+ 388.00982 193.0
[M+K]+ 408.93916 174.0
[M+H-H2O]+ 352.97326 175.2
[M+HCOO]- 414.97420 192.7
[M+CH3COO]- 428.98985 189.8
[M+Na-2H]- 390.95067 181.0
[M]+ 369.97545 196.5
[M]- 369.97655 196.5
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