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]+ 262.94688 144.0
[M+Na]+ 284.92882 156.4
[M-H]- 260.93232 150.3
[M+NH4]+ 279.97342 165.4
[M+K]+ 300.90276 144.3
[M+H-H2O]+ 244.93686 145.1
[M+HCOO]- 306.93780 161.3
[M+CH3COO]- 320.95345 190.3
[M+Na-2H]- 282.91427 151.0
[M]+ 261.93905 166.2
[M]- 261.94015 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.