CID 246169

N,n'-(butane-1,4-diyl)bis(2-chloroacetamide)

Structural Information

Molecular Formula
C8H14Cl2N2O2
SMILES
C(CCNC(=O)CCl)CNC(=O)CCl
InChI
InChI=1S/C8H14Cl2N2O2/c9-5-7(13)11-3-1-2-4-12-8(14)6-10/h1-6H2,(H,11,13)(H,12,14)
InChIKey
DNMKJPPCIKKTNT-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-[(2-chloroacetyl)amino]butyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

240.04323 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05051 152.4
[M+Na]+ 263.03245 158.4
[M-H]- 239.03595 151.8
[M+NH4]+ 258.07705 170.6
[M+K]+ 279.00639 154.3
[M+H-H2O]+ 223.04049 148.6
[M+HCOO]- 285.04143 167.1
[M+CH3COO]- 299.05708 193.8
[M+Na-2H]- 261.01790 155.1
[M]+ 240.04268 155.6
[M]- 240.04378 155.6
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