CID 24846265

Brn 2275912

Structural Information

Molecular Formula
C8H16Cl4N2O2S
SMILES
C(CCl)N(CCCl)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C8H16Cl4N2O2S/c9-1-5-13(6-2-10)17(15,16)14(7-3-11)8-4-12/h1-8H2
InChIKey
RFKJDNYRWYHJBE-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)sulfamoyl]-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.96866 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97594 179.4
[M+Na]+ 366.95788 187.7
[M+NH4]+ 362.00248 185.5
[M+K]+ 382.93182 179.5
[M-H]- 342.96138 177.8
[M+Na-2H]- 364.94333 180.7
[M]+ 343.96811 181.3
[M]- 343.96921 181.3
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

patents stripe