CID 603907

2,4'-dibromopropiophenone

Structural Information

Molecular Formula
C9H8Br2O
SMILES
CC(C(=O)C1=CC=C(C=C1)Br)Br
InChI
InChI=1S/C9H8Br2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKey
GKALOSTUZMFUQB-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-bromophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

289.8942 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.90148 143.5
[M+Na]+ 312.88342 138.6
[M+NH4]+ 307.92802 145.6
[M+K]+ 328.85736 145.3
[M-H]- 288.88692 144.2
[M+Na-2H]- 310.86887 145.4
[M]+ 289.89365 141.9
[M]- 289.89475 141.9
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

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