CID 3045085

Brn 2985202

Structural Information

Molecular Formula
C10H14Cl2N2O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)N(CCCl)CCCl
InChI
InChI=1S/C10H14Cl2N2O2S/c11-4-6-14(7-5-12)9-2-1-3-10(8-9)17(13,15)16/h1-3,8H,4-7H2,(H2,13,15,16)
InChIKey
ICLAZKSYPNSCDP-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0153 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.