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]+ 275.89768 145.0
[M+Na]+ 297.87962 161.3
[M-H]- 273.88312 149.5
[M+NH4]+ 292.92422 164.6
[M+K]+ 313.85356 145.8
[M+H-H2O]+ 257.88766 140.5
[M+HCOO]- 319.88860 157.0
[M+CH3COO]- 333.90425 203.1
[M+Na-2H]- 295.86507 150.4
[M]+ 274.88985 158.7
[M]- 274.89095 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.