CID 122163895

3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile

Structural Information

Molecular Formula
C9H4BrCl2N
SMILES
C1=CC(=C(C=C1/C(=C/C#N)/Cl)Cl)Br
InChI
InChI=1S/C9H4BrCl2N/c10-7-2-1-6(5-9(7)12)8(11)3-4-13/h1-3,5H/b8-3-
InChIKey
JSLWDBOZZLJZQW-BAQGIRSFSA-N
Compound name
(Z)-3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.8904 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.897676 145.0
[M+Na]+ 297.879618 161.3
[M-H]- 273.883124 149.5
[M+NH4]+ 292.924223 164.6
[M+K]+ 313.853558 145.8
[M+H-H2O]+ 257.887660 140.5
[M+HCOO]- 319.888601 157.0
[M+CH3COO]- 333.904251 203.1
[M+Na-2H]- 295.865066 150.4
[M]+ 274.88985142 158.7
[M]- 274.89094858 158.7
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

No patent data available for this compound.