CID 3060431

B 806

Structural Information

Molecular Formula
C6H14Cl2N3PS
SMILES
C1CNP(=S)(N1)N(CCCl)CCCl
InChI
InChI=1S/C6H14Cl2N3PS/c7-1-5-11(6-2-8)12(13)9-3-4-10-12/h1-6H2,(H2,9,10,13)
InChIKey
TUCZYXPQJGHCFY-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-diazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00232 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00960 151.0
[M+Na]+ 283.99154 159.0
[M+NH4]+ 279.03614 159.5
[M+K]+ 299.96548 151.3
[M-H]- 259.99504 150.1
[M+Na-2H]- 281.97699 154.6
[M]+ 261.00177 152.5
[M]- 261.00287 152.5
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.