CID 2366697

N-(2-chloroacetyl)acetamide

Structural Information

Molecular Formula
C4H6ClNO2
SMILES
CC(=O)NC(=O)CCl
InChI
InChI=1S/C4H6ClNO2/c1-3(7)6-4(8)2-5/h2H2,1H3,(H,6,7,8)
InChIKey
AYETZOVOIOQESV-UHFFFAOYSA-N
Compound name
N-acetyl-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

135.00871 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.01599 123.4
[M+Na]+ 157.99793 131.7
[M-H]- 134.00143 124.2
[M+NH4]+ 153.04253 145.9
[M+K]+ 173.97187 130.3
[M+H-H2O]+ 118.00597 120.1
[M+HCOO]- 180.00691 143.4
[M+CH3COO]- 194.02256 172.2
[M+Na-2H]- 155.98338 128.9
[M]+ 135.00816 125.0
[M]- 135.00926 125.0
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