CID 24846265

90326-32-2

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 171.4
[M+Na]+ 366.95788 177.0
[M-H]- 342.96138 171.7
[M+NH4]+ 362.00248 186.7
[M+K]+ 382.93182 172.9
[M+H-H2O]+ 326.96592 168.8
[M+HCOO]- 388.96686 171.1
[M+CH3COO]- 402.98251 214.1
[M+Na-2H]- 364.94333 170.6
[M]+ 343.96811 178.0
[M]- 343.96921 178.0
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