CID 74893

2045-41-2

Structural Information

Molecular Formula

C₁₀H₁₄Cl₂N₂O₂S

SMILES

C1=CC(=CC=C1N(CCCl)CCCl)S(=O)(=O)N

InChI

InChI=1S/C10H14Cl2N2O2S/c11-5-7-14(8-6-12)9-1-3-10(4-2-9)17(13,15)16/h1-4H,5-8H2,(H2,13,15,16)

InChIKey

PRZVDHWOIZGGKL-UHFFFAOYSA-N

Compound name

4-[bis(2-chloroethyl)amino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 296.0153 Da
Monoisotopic Mass: 1.9
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]+	297.022576	161.5
[M+Na]+	319.004518	169.3
[M-H]-	295.008024	165.6
[M+NH4]+	314.049123	178.4
[M+K]+	334.978458	164.0
[M+H-H2O]+	279.012560	156.8
[M+HCOO]-	341.013501	171.8
[M+CH3COO]-	355.029151	202.7
[M+Na-2H]-	316.989966	163.9
[M]+	296.01475142	166.7
[M]-	296.01584858	166.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.