CID 26664

14395-92-7

Structural Information

Molecular Formula
C8H16Cl2NO2PS
SMILES
C1CCOP(=S)(OC1)N(CCCl)CCCl
InChI
InChI=1S/C8H16Cl2NO2PS/c9-3-5-11(6-4-10)14(15)12-7-1-2-8-13-14/h1-8H2
InChIKey
PUNQDOINJFNZAE-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-dioxaphosphepan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.00165 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00893 153.6
[M+Na]+ 313.99087 158.0
[M-H]- 289.99437 158.0
[M+NH4]+ 309.03547 169.6
[M+K]+ 329.96481 160.8
[M+H-H2O]+ 273.99891 146.2
[M+HCOO]- 335.99985 164.9
[M+CH3COO]- 350.01550 200.3
[M+Na-2H]- 311.97632 154.4
[M]+ 291.00110 154.8
[M]- 291.00220 154.8
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.