CID 3438054

N-(2,2-dichloro-1-cyanoeth-1-en-1-yl)acetamide

Structural Information

Molecular Formula
C5H4Cl2N2O
SMILES
CC(=O)NC(=C(Cl)Cl)C#N
InChI
InChI=1S/C5H4Cl2N2O/c1-3(10)9-4(2-8)5(6)7/h1H3,(H,9,10)
InChIKey
YUUZZAXSFZFDFZ-UHFFFAOYSA-N
Compound name
N-(2,2-dichloro-1-cyanoethenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.97006 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.977336 136.0
[M+Na]+ 200.959278 145.9
[M-H]- 176.962784 136.7
[M+NH4]+ 196.003883 154.9
[M+K]+ 216.933218 142.3
[M+H-H2O]+ 160.967320 127.0
[M+HCOO]- 222.968261 147.0
[M+CH3COO]- 236.983911 192.5
[M+Na-2H]- 198.944726 138.8
[M]+ 177.96951142 131.9
[M]- 177.97060858 131.9
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

patents stripe