CID 12321394

1-bromo-3-(1-propen-2-yl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
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

No literature data available for this compound.

Patent stripe

patents stripe