CID 66158069

1-bromo-4-chloro-2-ethenylbenzene

Structural Information

Molecular Formula
C8H6BrCl
SMILES
C=CC1=C(C=CC(=C1)Cl)Br
InChI
InChI=1S/C8H6BrCl/c1-2-6-5-7(10)3-4-8(6)9/h2-5H,1H2
InChIKey
ZFLBDKZHLRMWCE-UHFFFAOYSA-N
Compound name
1-bromo-4-chloro-2-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

215.93414 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94142 134.0
[M+Na]+ 238.92336 140.0
[M+NH4]+ 233.96796 140.4
[M+K]+ 254.89730 138.0
[M-H]- 214.92686 135.7
[M+Na-2H]- 236.90881 139.2
[M]+ 215.93359 134.6
[M]- 215.93469 134.6
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