CID 12486618

1-bromo-2-(prop-1-en-2-yl)benzene

Structural Information

Molecular Formula
C9H9Br
SMILES
CC(=C)C1=CC=CC=C1Br
InChI
InChI=1S/C9H9Br/c1-7(2)8-5-3-4-6-9(8)10/h3-6H,1H2,2H3
InChIKey
XAJLFMOXQLPTIL-UHFFFAOYSA-N
Compound name
1-bromo-2-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

195.98875 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 133.3
[M+Na]+ 218.977968 145.0
[M-H]- 194.981474 139.9
[M+NH4]+ 214.022573 156.5
[M+K]+ 234.951908 134.0
[M+H-H2O]+ 178.986010 134.2
[M+HCOO]- 240.986951 154.6
[M+CH3COO]- 255.002601 183.1
[M+Na-2H]- 216.963416 140.8
[M]+ 195.98820142 151.0
[M]- 195.98929858 151.0
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