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

126
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 132.8
[M+Na]+ 218.97797 144.7
[M-H]- 194.98147 139.3
[M+NH4]+ 214.02257 156.0
[M+K]+ 234.95191 133.4
[M+H-H2O]+ 178.98601 133.7
[M+HCOO]- 240.98695 155.1
[M+CH3COO]- 255.00260 182.3
[M+Na-2H]- 216.96342 141.5
[M]+ 195.98820 151.0
[M]- 195.98930 151.1
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