CID 7454

2,4'-dibromoacetophenone

Structural Information

Molecular Formula
C8H6Br2O
SMILES
C1=CC(=CC=C1C(=O)CBr)Br
InChI
InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
FKJSFKCZZIXQIP-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-bromophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

514
References

11316
Patents

275.87854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.885816 136.2
[M+Na]+ 298.867758 147.1
[M-H]- 274.871264 143.1
[M+NH4]+ 293.912363 156.0
[M+K]+ 314.841698 132.0
[M+H-H2O]+ 258.875800 144.6
[M+HCOO]- 320.876741 152.6
[M+CH3COO]- 334.892391 200.0
[M+Na-2H]- 296.853206 143.6
[M]+ 275.87799142 170.1
[M]- 275.87908858 170.1
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