CID 217072

Brn 1000225

Structural Information

Molecular Formula
C7H13N2O3PS3
SMILES
CCOC1=NN=C(S1)CSP(=S)(OC)OC
InChI
InChI=1S/C7H13N2O3PS3/c1-4-12-7-9-8-6(16-7)5-15-13(14,10-2)11-3/h4-5H2,1-3H3
InChIKey
XKJGMRRNNWRMPF-UHFFFAOYSA-N
Compound name
(5-ethoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.9826 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98988 155.1
[M+Na]+ 322.97182 163.6
[M-H]- 298.97532 154.6
[M+NH4]+ 318.01642 170.6
[M+K]+ 338.94576 159.6
[M+H-H2O]+ 282.97986 146.3
[M+HCOO]- 344.98080 167.3
[M+CH3COO]- 358.99645 198.2
[M+Na-2H]- 320.95727 152.4
[M]+ 299.98205 161.5
[M]- 299.98315 161.5
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.