CID 54112

B 597

Structural Information

Molecular Formula
C6H12Cl2NO2PS
SMILES
C1COP(=S)(O1)N(CCCl)CCCl
InChI
InChI=1S/C6H12Cl2NO2PS/c7-1-3-9(4-2-8)12(13)10-5-6-11-12/h1-6H2
InChIKey
KKIQEBLSOFTOJM-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-dioxaphospholan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.97034 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.97762 150.0
[M+Na]+ 285.95956 157.4
[M-H]- 261.96306 154.6
[M+NH4]+ 281.00416 170.3
[M+K]+ 301.93350 156.3
[M+H-H2O]+ 245.96760 144.9
[M+HCOO]- 307.96854 164.2
[M+CH3COO]- 321.98419 193.3
[M+Na-2H]- 283.94501 150.7
[M]+ 262.96979 156.3
[M]- 262.97089 156.3
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.