CID 14748855

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

Structural Information

Molecular Formula
C9H8BrClO
SMILES
C1=CC(=CC=C1CC(=O)CBr)Cl
InChI
InChI=1S/C9H8BrClO/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4H,5-6H2
InChIKey
GLUIQHUZOIOCAA-UHFFFAOYSA-N
Compound name
1-bromo-3-(4-chlorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

245.94472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 141.4
[M+Na]+ 268.93394 154.0
[M-H]- 244.93744 147.8
[M+NH4]+ 263.97854 163.5
[M+K]+ 284.90788 141.3
[M+H-H2O]+ 228.94198 142.7
[M+HCOO]- 290.94292 158.6
[M+CH3COO]- 304.95857 188.5
[M+Na-2H]- 266.91939 148.4
[M]+ 245.94417 162.2
[M]- 245.94527 162.2
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