CID 217089

Brn 1014024

Structural Information

Molecular Formula
C10H17N2O2PS4
SMILES
CCOP(=S)(OCC)SCC1=NN=C(S1)SCC=C
InChI
InChI=1S/C10H17N2O2PS4/c1-4-7-17-10-12-11-9(19-10)8-18-15(16,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3
InChIKey
DMWTUKSGEASZRE-UHFFFAOYSA-N
Compound name
diethoxy-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.99106 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99834 168.8
[M+Na]+ 378.98028 176.3
[M-H]- 354.98378 166.8
[M+NH4]+ 374.02488 181.5
[M+K]+ 394.95422 168.2
[M+H-H2O]+ 338.98832 159.7
[M+HCOO]- 400.98926 174.3
[M+CH3COO]- 415.00491 209.3
[M+Na-2H]- 376.96573 164.6
[M]+ 355.99051 171.5
[M]- 355.99161 171.5
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.