CID 12401951

2632-14-6

Structural Information

Molecular Formula
C10H11BrO
SMILES
CCC1=CC=C(C=C1)C(=O)CBr
InChI
InChI=1S/C10H11BrO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7H2,1H3
InChIKey
XNYSPDGJBPTDDI-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-ethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

225.99933 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 141.2
[M+Na]+ 248.98855 152.3
[M-H]- 224.99205 147.5
[M+NH4]+ 244.03315 163.1
[M+K]+ 264.96249 141.5
[M+H-H2O]+ 208.99659 141.6
[M+HCOO]- 270.99753 162.4
[M+CH3COO]- 285.01318 187.7
[M+Na-2H]- 246.97400 148.0
[M]+ 225.99878 160.5
[M]- 225.99988 160.5
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