CID 12676497

1-[(1z)-2-bromoethenyl]-3-chlorobenzene

Structural Information

Molecular Formula
C8H6BrCl
SMILES
C1=CC(=CC(=C1)Cl)/C=C\Br
InChI
InChI=1S/C8H6BrCl/c9-5-4-7-2-1-3-8(10)6-7/h1-6H/b5-4-
InChIKey
CDPDVBVBLJTZEI-PLNGDYQASA-N
Compound name
1-[(Z)-2-bromoethenyl]-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.93414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.941416 133.7
[M+Na]+ 238.923358 147.2
[M-H]- 214.926864 140.2
[M+NH4]+ 233.967963 157.1
[M+K]+ 254.897298 133.9
[M+H-H2O]+ 198.931400 135.5
[M+HCOO]- 260.932341 152.0
[M+CH3COO]- 274.947991 182.5
[M+Na-2H]- 236.908806 142.6
[M]+ 215.93359142 153.4
[M]- 215.93468858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.