CID 13398144

36784-59-5

Structural Information

Molecular Formula

C₈H₁₄Cl₂N₂O₂

SMILES

CN(CCN(C)C(=O)CCl)C(=O)CCl

InChI

InChI=1S/C8H14Cl2N2O2/c1-11(7(13)5-9)3-4-12(2)8(14)6-10/h3-6H2,1-2H3

InChIKey

MQTABKLQUXUUQA-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-[(2-chloroacetyl)-methylamino]ethyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.04323 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.05051	151.9
[M+Na]+	263.03245	158.4
[M-H]-	239.03595	154.4
[M+NH4]+	258.07705	171.5
[M+K]+	279.00639	157.0
[M+H-H2O]+	223.04049	148.0
[M+HCOO]-	285.04143	167.7
[M+CH3COO]-	299.05708	200.7
[M+Na-2H]-	261.01790	153.3
[M]+	240.04268	157.9
[M]-	240.04378	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe