CID 15074783

1-(4-bromophenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC(C)C(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H11BrO/c1-7(2)10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKey
PMFLKZHWZXWOEH-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

225.99933 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 141.5
[M+Na]+ 248.98855 152.4
[M-H]- 224.99205 147.9
[M+NH4]+ 244.03315 163.4
[M+K]+ 264.96249 142.0
[M+H-H2O]+ 208.99659 141.9
[M+HCOO]- 270.99753 161.7
[M+CH3COO]- 285.01318 188.5
[M+Na-2H]- 246.97400 147.1
[M]+ 225.99878 160.2
[M]- 225.99988 160.2
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

patents stripe