CID 67625

2-(diethoxyphosphinothioylimino)-1,3-dithiolane

Structural Information

Molecular Formula
C7H14NO2PS3
SMILES
CCOP(=S)(N=C1SCCS1)OCC
InChI
InChI=1S/C7H14NO2PS3/c1-3-9-11(12,10-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3
InChIKey
YWITZONHXPIYDK-UHFFFAOYSA-N
Compound name
N-diethoxyphosphinothioyl-1,3-dithiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

270.99243 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99971 152.7
[M+Na]+ 293.98165 158.6
[M-H]- 269.98515 154.9
[M+NH4]+ 289.02625 171.7
[M+K]+ 309.95559 154.7
[M+H-H2O]+ 253.98969 144.1
[M+HCOO]- 315.99063 166.4
[M+CH3COO]- 330.00628 196.4
[M+Na-2H]- 291.96710 150.2
[M]+ 270.99188 154.6
[M]- 270.99298 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe