CID 16218293

1-(1-bromovinyl)-4-chlorobenzene

Structural Information

Molecular Formula
C8H6BrCl
SMILES
C=C(C1=CC=C(C=C1)Cl)Br
InChI
InChI=1S/C8H6BrCl/c1-6(9)7-2-4-8(10)5-3-7/h2-5H,1H2
InChIKey
ZVDIEXFKTMIHIU-UHFFFAOYSA-N
Compound name
1-(1-bromoethenyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

215.93414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.941416 133.8
[M+Na]+ 238.923358 146.9
[M-H]- 214.926864 140.4
[M+NH4]+ 233.967963 157.1
[M+K]+ 254.897298 134.0
[M+H-H2O]+ 198.931400 135.6
[M+HCOO]- 260.932341 151.1
[M+CH3COO]- 274.947991 183.9
[M+Na-2H]- 236.908806 141.5
[M]+ 215.93359142 152.9
[M]- 215.93468858 152.9
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