CID 24837981

Brn 2451649

Structural Information

Molecular Formula
C7H15Cl2NO4S
SMILES
CS(=O)(=O)OCCON(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2NO4S/c1-15(11,12)14-7-6-13-10(4-2-8)5-3-9/h2-7H2,1H3
InChIKey
RRIKBKDREONKNX-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)aminooxy]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0099 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.01718 154.4
[M+Na]+ 301.99912 161.8
[M-H]- 278.00262 156.0
[M+NH4]+ 297.04372 172.6
[M+K]+ 317.97306 159.0
[M+H-H2O]+ 262.00716 150.9
[M+HCOO]- 324.00810 164.3
[M+CH3COO]- 338.02375 197.1
[M+Na-2H]- 299.98457 157.3
[M]+ 279.00935 164.8
[M]- 279.01045 164.8
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.