CID 69022

N-chloroacetamide

Structural Information

Molecular Formula
C2H4ClNO
SMILES
CC(=O)NCl
InChI
InChI=1S/C2H4ClNO/c1-2(5)4-3/h1H3,(H,4,5)
InChIKey
HSPSCWZIJWKZKD-UHFFFAOYSA-N
Compound name
N-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1195
Patents

92.99814 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.005416 112.5
[M+Na]+ 115.98736 121.3
[M-H]- 91.990864 113.4
[M+NH4]+ 111.03196 136.6
[M+K]+ 131.96130 120.3
[M+H-H2O]+ 75.995400 109.5
[M+HCOO]- 137.99634 133.5
[M+CH3COO]- 152.01199 164.9
[M+Na-2H]- 113.97281 120.2
[M]+ 92.997591 113.2
[M]- 92.998689 113.2
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