CID 213207

25715-22-4

Structural Information

Molecular Formula

C₁₀H₁₄Cl₂N₂O₂S

SMILES

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

InChI

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

InChIKey

NGUDJWIMTMHFID-UHFFFAOYSA-N

Compound name

4-amino-N,N-bis(2-chloroethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 296.0153 Da
Monoisotopic Mass: 1.6
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]+	297.02258	161.5
[M+Na]+	319.00452	169.3
[M-H]-	295.00802	165.6
[M+NH4]+	314.04912	178.4
[M+K]+	334.97846	164.0
[M+H-H2O]+	279.01256	156.8
[M+HCOO]-	341.01350	171.8
[M+CH3COO]-	355.02915	202.7
[M+Na-2H]-	316.98997	163.9
[M]+	296.01475	166.7
[M]-	296.01585	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe