CID 2757101

3-(4-bromophenyl)-3-chloroprop-2-enenitrile

Structural Information

Molecular Formula
C9H5BrClN
SMILES
C1=CC(=CC=C1C(=CC#N)Cl)Br
InChI
InChI=1S/C9H5BrClN/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-5H
InChIKey
LDXSSEKZKTYYOQ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-3-chloroprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.9294 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.93668 140.8
[M+Na]+ 263.91862 146.0
[M+NH4]+ 258.96322 143.8
[M+K]+ 279.89256 141.6
[M-H]- 239.92212 135.8
[M+Na-2H]- 261.90407 143.3
[M]+ 240.92885 138.7
[M]- 240.92995 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.