CID 102536773

N-(2,2-dichloro-1-cyanoethenyl)prop-2-enamide

Structural Information

Molecular Formula
C6H4Cl2N2O
SMILES
C=CC(=O)NC(=C(Cl)Cl)C#N
InChI
InChI=1S/C6H4Cl2N2O/c1-2-5(11)10-4(3-9)6(7)8/h2H,1H2,(H,10,11)
InChIKey
VXFQLWPCCOBYIH-UHFFFAOYSA-N
Compound name
N-(2,2-dichloro-1-cyanoethenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.97006 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.97734 140.2
[M+Na]+ 212.95928 150.0
[M-H]- 188.96278 140.7
[M+NH4]+ 208.00388 158.6
[M+K]+ 228.93322 145.6
[M+H-H2O]+ 172.96732 131.0
[M+HCOO]- 234.96826 151.0
[M+CH3COO]- 248.98391 194.3
[M+Na-2H]- 210.94473 142.4
[M]+ 189.96951 135.8
[M]- 189.97061 135.8
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.