CID 3060710

B 654

Structural Information

Molecular Formula
C7H15Cl2N2OPS
SMILES
CN1CCOP1(=S)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2OPS/c1-10-6-7-12-13(10,14)11(4-2-8)5-3-9/h2-7H2,1H3
InChIKey
DEWQRXGUSAFUPX-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00926 151.8
[M+Na]+ 298.99120 159.6
[M-H]- 274.99470 154.5
[M+NH4]+ 294.03580 171.9
[M+K]+ 314.96514 157.1
[M+H-H2O]+ 258.99924 145.5
[M+HCOO]- 321.00018 165.1
[M+CH3COO]- 335.01583 197.8
[M+Na-2H]- 296.97665 150.4
[M]+ 276.00143 157.3
[M]- 276.00253 157.3
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.