CID 586475

125428-11-7

Structural Information

Molecular Formula
C8H6BrCl
SMILES
C1=CC(=CC=C1C=CBr)Cl
InChI
InChI=1S/C8H6BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-6H
InChIKey
ZTBMGKTZOOAZBH-UHFFFAOYSA-N
Compound name
1-(2-bromoethenyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

215.93414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94142 133.7
[M+Na]+ 238.92336 147.2
[M-H]- 214.92686 140.2
[M+NH4]+ 233.96796 157.1
[M+K]+ 254.89730 133.9
[M+H-H2O]+ 198.93140 135.5
[M+HCOO]- 260.93234 152.0
[M+CH3COO]- 274.94799 182.5
[M+Na-2H]- 236.90881 142.6
[M]+ 215.93359 153.4
[M]- 215.93469 153.4
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