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

135
Patents

195.98875 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 132.8
[M+Na]+ 218.977968 144.7
[M-H]- 194.981474 139.3
[M+NH4]+ 214.022573 156.0
[M+K]+ 234.951908 133.4
[M+H-H2O]+ 178.986010 133.7
[M+HCOO]- 240.986951 155.1
[M+CH3COO]- 255.002601 182.3
[M+Na-2H]- 216.963416 141.5
[M]+ 195.98820142 151.1
[M]- 195.98929858 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