CID 3062526

Ethanesulfonic acid, 2-(bis(2-chloroethyl)amino)-, n-oxide

Structural Information

Molecular Formula
C6H13Cl2NO4S
SMILES
C(CS(=O)(=O)O)[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C6H13Cl2NO4S/c7-1-3-9(10,4-2-8)5-6-14(11,12)13/h1-6H2,(H,11,12,13)
InChIKey
NWMANSJQWKSSQE-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfoethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.99423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.00151 153.5
[M+Na]+ 287.98345 163.3
[M+NH4]+ 283.02805 160.1
[M+K]+ 303.95739 158.9
[M-H]- 263.98695 151.7
[M+Na-2H]- 285.96890 155.1
[M]+ 264.99368 155.1
[M]- 264.99478 155.1
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.