CID 19813177

1-bromo-4-(4-chlorophenyl)butan-2-one

Structural Information

Molecular Formula
C10H10BrClO
SMILES
C1=CC(=CC=C1CCC(=O)CBr)Cl
InChI
InChI=1S/C10H10BrClO/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-2,4-5H,3,6-7H2
InChIKey
QHIPMIUCKDMPEK-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-chlorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

259.96036 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.96764 146.1
[M+Na]+ 282.94958 158.3
[M-H]- 258.95308 152.3
[M+NH4]+ 277.99418 167.7
[M+K]+ 298.92352 145.4
[M+H-H2O]+ 242.95762 147.2
[M+HCOO]- 304.95856 163.0
[M+CH3COO]- 318.97421 191.3
[M+Na-2H]- 280.93503 152.6
[M]+ 259.95981 167.3
[M]- 259.96091 167.3
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