CID 108398807

4-bromo-1-chloro-2-ethenylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.93414 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.941416 132.7
[M+Na]+ 238.923358 146.9
[M-H]- 214.926864 139.6
[M+NH4]+ 233.967963 156.3
[M+K]+ 254.897298 133.7
[M+H-H2O]+ 198.931400 134.6
[M+HCOO]- 260.932341 150.9
[M+CH3COO]- 274.947991 184.1
[M+Na-2H]- 236.908806 140.9
[M]+ 215.93359142 152.7
[M]- 215.93468858 152.7
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