CID 119031713

2-(3,5-dichlorophenyl)prop-2-enenitrile

Structural Information

Molecular Formula
C9H5Cl2N
SMILES
C=C(C#N)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H5Cl2N/c1-6(5-12)7-2-8(10)4-9(11)3-7/h2-4H,1H2
InChIKey
PGOZVYFFLRLPSE-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.9799 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.987176 139.3
[M+Na]+ 219.969118 152.1
[M-H]- 195.972624 142.6
[M+NH4]+ 215.013723 158.4
[M+K]+ 235.943058 145.3
[M+H-H2O]+ 179.977160 129.6
[M+HCOO]- 241.978101 151.0
[M+CH3COO]- 255.993751 195.3
[M+Na-2H]- 217.954566 143.4
[M]+ 196.97935142 136.6
[M]- 196.98044858 136.6
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.