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

23
Patents

215.93414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94142 133.8
[M+Na]+ 238.92336 146.9
[M-H]- 214.92686 140.4
[M+NH4]+ 233.96796 157.1
[M+K]+ 254.89730 134.0
[M+H-H2O]+ 198.93140 135.6
[M+HCOO]- 260.93234 151.1
[M+CH3COO]- 274.94799 183.9
[M+Na-2H]- 236.90881 141.5
[M]+ 215.93359 152.9
[M]- 215.93469 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