CID 3060707

B 679

Structural Information

Molecular Formula
C8H17Cl2N2OPS
SMILES
CCC1COP(=S)(N1)N(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N2OPS/c1-2-8-7-13-14(15,11-8)12(5-3-9)6-4-10/h8H,2-7H2,1H3,(H,11,15)
InChIKey
OBYIPKKBGXJMLV-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-ethyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.01764 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02492 160.0
[M+Na]+ 313.00686 168.6
[M+NH4]+ 308.05146 168.7
[M+K]+ 328.98080 160.8
[M-H]- 289.01036 161.2
[M+Na-2H]- 310.99231 162.9
[M]+ 290.01709 162.3
[M]- 290.01819 162.3
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.