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 151.4
[M+Na]+ 287.98345 158.0
[M-H]- 263.98695 149.9
[M+NH4]+ 283.02805 168.3
[M+K]+ 303.95739 149.2
[M+H-H2O]+ 247.99149 153.8
[M+HCOO]- 309.99243 158.4
[M+CH3COO]- 324.00808 181.1
[M+Na-2H]- 285.96890 157.7
[M]+ 264.99368 154.6
[M]- 264.99478 154.6
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.