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

397
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

literature stripe

Patent stripe

patents stripe