CID 3060711

B 680

Structural Information

Molecular Formula
C7H15Cl2N2OPS
SMILES
CC1CNP(=S)(O1)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2OPS/c1-7-6-10-13(14,12-7)11(4-2-8)5-3-9/h7H,2-6H2,1H3,(H,10,14)
InChIKey
YVPFEYKCTBCNJK-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-5-methyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.00198 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00926 155.7
[M+Na]+ 298.99120 164.6
[M+NH4]+ 294.03580 164.6
[M+K]+ 314.96514 157.0
[M-H]- 274.99470 157.0
[M+Na-2H]- 296.97665 158.9
[M]+ 276.00143 158.1
[M]- 276.00253 158.1
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.