CID 16566

B 833

Structural Information

Molecular Formula
C6H12Cl2NO2PS
SMILES
C1CSP(=O)(O1)N(CCCl)CCCl
InChI
InChI=1S/C6H12Cl2NO2PS/c7-1-3-9(4-2-8)12(10)11-5-6-13-12/h1-6H2
InChIKey
XCQYBQCWJMOFTF-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxathiaphospholan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.97034 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.97762 147.8
[M+Na]+ 285.95956 155.2
[M-H]- 261.96306 151.8
[M+NH4]+ 281.00416 169.4
[M+K]+ 301.93350 153.2
[M+H-H2O]+ 245.96760 142.6
[M+HCOO]- 307.96854 163.0
[M+CH3COO]- 321.98419 193.2
[M+Na-2H]- 283.94501 148.0
[M]+ 262.96979 153.8
[M]- 262.97089 153.8
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.