CID 74893

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

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

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.