CID 20535081

Sulfamide, n,n-bis(2-chloroethyl)-

Structural Information

Molecular Formula

C₄H₁₀Cl₂N₂O₂S

SMILES

C(CCl)N(CCCl)S(=O)(=O)N

InChI

InChI=1S/C4H10Cl2N2O2S/c5-1-3-8(4-2-6)11(7,9)10/h1-4H2,(H2,7,9,10)

InChIKey

XYJOPEOAJAVLCJ-UHFFFAOYSA-N

Compound name

1-chloro-2-[2-chloroethyl(sulfamoyl)amino]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.98401 Da
Monoisotopic Mass: 0.0
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]+	220.99129	141.4
[M+Na]+	242.97323	149.3
[M-H]-	218.97673	142.6
[M+NH4]+	238.01783	161.2
[M+K]+	258.94717	145.7
[M+H-H2O]+	202.98127	138.2
[M+HCOO]-	264.98221	151.8
[M+CH3COO]-	278.99786	188.5
[M+Na-2H]-	240.95868	144.3
[M]+	219.98346	145.8
[M]-	219.98456	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe