CID 1529004

N-(2,2-dichloroethenyl)acetamide

Structural Information

Molecular Formula
C4H5Cl2NO
SMILES
CC(=O)NC=C(Cl)Cl
InChI
InChI=1S/C4H5Cl2NO/c1-3(8)7-2-4(5)6/h2H,1H3,(H,7,8)
InChIKey
DMLVNIAMNAGQAB-UHFFFAOYSA-N
Compound name
N-(2,2-dichloroethenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

152.97482 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.98210 126.7
[M+Na]+ 175.96404 135.3
[M-H]- 151.96754 126.8
[M+NH4]+ 171.00864 148.7
[M+K]+ 191.93798 131.7
[M+H-H2O]+ 135.97208 124.4
[M+HCOO]- 197.97302 141.3
[M+CH3COO]- 211.98867 175.2
[M+Na-2H]- 173.94949 131.4
[M]+ 152.97427 127.7
[M]- 152.97537 127.7
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

patents stripe