CID 43260405

1-(4-bromophenyl)-3-chloropropan-2-one

Structural Information

Molecular Formula
C9H8BrClO
SMILES
C1=CC(=CC=C1CC(=O)CCl)Br
InChI
InChI=1S/C9H8BrClO/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4H,5-6H2
InChIKey
VOMWRXLBUSAIKU-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-chloropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

245.94472 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 141.3
[M+Na]+ 268.93394 146.0
[M+NH4]+ 263.97854 146.9
[M+K]+ 284.90788 144.8
[M-H]- 244.93744 142.2
[M+Na-2H]- 266.91939 145.6
[M]+ 245.94417 141.4
[M]- 245.94527 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe