CID 22598656

4-bromo-2-methyl-1-vinylbenzene

Structural Information

Molecular Formula
C9H9Br
SMILES
CC1=C(C=CC(=C1)Br)C=C
InChI
InChI=1S/C9H9Br/c1-3-8-4-5-9(10)6-7(8)2/h3-6H,1H2,2H3
InChIKey
CXQOCAMBPXPNHY-UHFFFAOYSA-N
Compound name
4-bromo-1-ethenyl-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

195.98875 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 131.8
[M+Na]+ 218.977968 144.6
[M-H]- 194.981474 138.7
[M+NH4]+ 214.022573 155.4
[M+K]+ 234.951908 133.3
[M+H-H2O]+ 178.986010 132.9
[M+HCOO]- 240.986951 154.1
[M+CH3COO]- 255.002601 183.4
[M+Na-2H]- 216.963416 139.9
[M]+ 195.98820142 150.4
[M]- 195.98929858 150.4
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