CID 5357478

Cinnamyl bromide

Structural Information

Molecular Formula
C9H9Br
SMILES
C1=CC=C(C=C1)/C=C/CBr
InChI
InChI=1S/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKey
RUROFEVDCUGKHD-QPJJXVBHSA-N
Compound name
[(E)-3-bromoprop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2204
Patents

195.98875 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 133.8
[M+Na]+ 218.977968 144.9
[M-H]- 194.981474 140.0
[M+NH4]+ 214.022573 156.8
[M+K]+ 234.951908 133.6
[M+H-H2O]+ 178.986010 134.5
[M+HCOO]- 240.986951 156.1
[M+CH3COO]- 255.002601 180.7
[M+Na-2H]- 216.963416 143.1
[M]+ 195.98820142 151.6
[M]- 195.98929858 151.6
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