CID 12321394

25108-58-1

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

133
Patents

195.98875 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 133.3
[M+Na]+ 218.977968 145.0
[M-H]- 194.981474 139.9
[M+NH4]+ 214.022573 156.5
[M+K]+ 234.951908 134.0
[M+H-H2O]+ 178.986010 134.2
[M+HCOO]- 240.986951 154.6
[M+CH3COO]- 255.002601 183.1
[M+Na-2H]- 216.963416 140.8
[M]+ 195.98820142 151.0
[M]- 195.98929858 151.0
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