CID 54113

B 683

Structural Information

Molecular Formula
C7H14Cl2NO2PS
SMILES
C1COP(=S)(OC1)N(CCCl)CCCl
InChI
InChI=1S/C7H14Cl2NO2PS/c8-2-4-10(5-3-9)13(14)11-6-1-7-12-13/h1-7H2
InChIKey
VSOJCPWMONEYNU-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.986 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99328 151.9
[M+Na]+ 299.97522 157.9
[M-H]- 275.97872 156.1
[M+NH4]+ 295.01982 169.9
[M+K]+ 315.94916 156.8
[M+H-H2O]+ 259.98326 146.2
[M+HCOO]- 321.98420 164.0
[M+CH3COO]- 335.99985 196.6
[M+Na-2H]- 297.96067 153.5
[M]+ 276.98545 156.8
[M]- 276.98655 156.8
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.