CID 31154

22358-18-5

Structural Information

Molecular Formula
C7H12Cl2N2O2
SMILES
C(CNC(=O)CCl)CNC(=O)CCl
InChI
InChI=1S/C7H12Cl2N2O2/c8-4-6(12)10-2-1-3-11-7(13)5-9/h1-5H2,(H,10,12)(H,11,13)
InChIKey
VNPHYBXISGDJBH-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-[(2-chloroacetyl)amino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

226.02759 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03487 147.9
[M+Na]+ 249.01681 154.3
[M-H]- 225.02031 147.4
[M+NH4]+ 244.06141 166.6
[M+K]+ 264.99075 150.4
[M+H-H2O]+ 209.02485 144.3
[M+HCOO]- 271.02579 162.8
[M+CH3COO]- 285.04144 190.9
[M+Na-2H]- 247.00226 151.0
[M]+ 226.02704 150.7
[M]- 226.02814 150.7
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