CID 24846252

Brn 2261838

Structural Information

Molecular Formula
C8H18Cl2N2O2S
SMILES
CCN(CC)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C8H18Cl2N2O2S/c1-3-11(4-2)15(13,14)12(7-5-9)8-6-10/h3-8H2,1-2H3
InChIKey
VCDNPMGCLWFKKA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-(diethylsulfamoyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0466 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05388 158.8
[M+Na]+ 299.03582 165.3
[M-H]- 275.03932 161.5
[M+NH4]+ 294.08042 177.5
[M+K]+ 315.00976 162.4
[M+H-H2O]+ 259.04386 154.6
[M+HCOO]- 321.04480 169.2
[M+CH3COO]- 335.06045 204.3
[M+Na-2H]- 297.02127 160.3
[M]+ 276.04605 167.2
[M]- 276.04715 167.2
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.