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]+ 197.98718 139.3
[M+Na]+ 219.96912 152.1
[M-H]- 195.97262 142.6
[M+NH4]+ 215.01372 158.4
[M+K]+ 235.94306 145.3
[M+H-H2O]+ 179.97716 129.6
[M+HCOO]- 241.97810 151.0
[M+CH3COO]- 255.99375 195.3
[M+Na-2H]- 217.95457 143.4
[M]+ 196.97935 136.6
[M]- 196.98045 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.