CID 81815

N-(2-chloroethyl)acetamide

Structural Information

Molecular Formula
C4H8ClNO
SMILES
CC(=O)NCCCl
InChI
InChI=1S/C4H8ClNO/c1-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
InChIKey
HSKNJSHFPPHTAQ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
Patents

121.02944 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.03672 121.9
[M+Na]+ 144.01866 130.0
[M-H]- 120.02216 122.4
[M+NH4]+ 139.06326 144.9
[M+K]+ 159.99260 128.3
[M+H-H2O]+ 104.02670 118.5
[M+HCOO]- 166.02764 142.3
[M+CH3COO]- 180.04329 171.0
[M+Na-2H]- 142.00411 128.5
[M]+ 121.02889 123.3
[M]- 121.02999 123.3
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.