CID 12407132

1-allyl-3-bromobenzene

Structural Information

Molecular Formula
C9H9Br
SMILES
C=CCC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H9Br/c1-2-4-8-5-3-6-9(10)7-8/h2-3,5-7H,1,4H2
InChIKey
WORZVRJVRZBWMZ-UHFFFAOYSA-N
Compound name
1-bromo-3-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

195.98875 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99603 132.9
[M+Na]+ 218.97797 137.6
[M+NH4]+ 214.02257 138.9
[M+K]+ 234.95191 136.0
[M-H]- 194.98147 134.4
[M+Na-2H]- 216.96342 137.9
[M]+ 195.98820 132.9
[M]- 195.98930 132.9
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