CID 95342

1-propanone, 2,3-dibromo-1,3-diphenyl-

Structural Information

Molecular Formula
C15H12Br2O
SMILES
C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Br)Br
InChI
InChI=1S/C15H12Br2O/c16-13(11-7-3-1-4-8-11)14(17)15(18)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey
LYAGBKGGYRLVTR-UHFFFAOYSA-N
Compound name
2,3-dibromo-1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

63
Patents

365.92548 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.93276 163.1
[M+Na]+ 388.91470 170.7
[M-H]- 364.91820 171.4
[M+NH4]+ 383.95930 179.2
[M+K]+ 404.88864 155.8
[M+H-H2O]+ 348.92274 170.7
[M+HCOO]- 410.92368 177.0
[M+CH3COO]- 424.93933 213.0
[M+Na-2H]- 386.90015 167.4
[M]+ 365.92493 195.6
[M]- 365.92603 195.6
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