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 148.1
[M+Na]+ 284.97555 155.0
[M-H]- 260.97905 149.2
[M+NH4]+ 280.02015 167.7
[M+K]+ 300.94949 151.9
[M+H-H2O]+ 244.98359 141.9
[M+HCOO]- 306.98453 160.2
[M+CH3COO]- 321.00018 191.2
[M+Na-2H]- 282.96100 147.3
[M]+ 261.98578 151.1
[M]- 261.98688 151.1
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.