CID 200099

B 522

Structural Information

Molecular Formula
C6H13Cl2N2OPS
SMILES
C1COP(=S)(N1)N(CCCl)CCCl
InChI
InChI=1S/C6H13Cl2N2OPS/c7-1-4-10(5-2-8)12(13)9-3-6-11-12/h1-6H2,(H,9,13)
InChIKey
NLCKTSNLIVZLNI-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99361 151.5
[M+Na]+ 284.97555 160.2
[M+NH4]+ 280.02015 160.5
[M+K]+ 300.94949 152.6
[M-H]- 260.97905 152.7
[M+Na-2H]- 282.96100 155.1
[M]+ 261.98578 153.8
[M]- 261.98688 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.