CID 217086

Brn 1012151

Structural Information

Molecular Formula
C10H19N2O2PS4
SMILES
CCOP(=S)(OCC)SCC1=NN=C(S1)SC(C)C
InChI
InChI=1S/C10H19N2O2PS4/c1-5-13-15(16,14-6-2)17-7-9-11-12-10(19-9)18-8(3)4/h8H,5-7H2,1-4H3
InChIKey
SVSQVSIYIUNRLH-UHFFFAOYSA-N
Compound name
diethoxy-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0067 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.01398 168.6
[M+Na]+ 380.99592 175.4
[M-H]- 356.99942 166.6
[M+NH4]+ 376.04052 181.3
[M+K]+ 396.96986 168.4
[M+H-H2O]+ 341.00396 159.6
[M+HCOO]- 403.00490 172.9
[M+CH3COO]- 417.02055 210.8
[M+Na-2H]- 378.98137 164.0
[M]+ 358.00615 171.6
[M]- 358.00725 171.6
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.