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

104
Patents

195.98875 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99603 131.6
[M+Na]+ 218.97797 136.1
[M+NH4]+ 214.02257 137.6
[M+K]+ 234.95191 135.3
[M-H]- 194.98147 133.0
[M+Na-2H]- 216.96342 136.5
[M]+ 195.98820 131.6
[M]- 195.98930 131.6
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