CID 10515710

1-bromo-3-(4-chlorophenoxy)propan-2-one

Structural Information

Molecular Formula
C9H8BrClO2
SMILES
C1=CC(=CC=C1OCC(=O)CBr)Cl
InChI
InChI=1S/C9H8BrClO2/c10-5-8(12)6-13-9-3-1-7(11)2-4-9/h1-4H,5-6H2
InChIKey
LDYWNYNUGJXVCY-UHFFFAOYSA-N
Compound name
1-bromo-3-(4-chlorophenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9396 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.946876 144.0
[M+Na]+ 284.928818 156.4
[M-H]- 260.932324 150.3
[M+NH4]+ 279.973423 165.4
[M+K]+ 300.902758 144.3
[M+H-H2O]+ 244.936860 145.1
[M+HCOO]- 306.937801 161.3
[M+CH3COO]- 320.953451 190.3
[M+Na-2H]- 282.914266 151.0
[M]+ 261.93905142 166.2
[M]- 261.94014858 166.2
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

No patent data available for this compound.