CID 217081

38090-95-8

Structural Information

Molecular Formula
C7H13N2O2PS4
SMILES
CCSC1=NN=C(S1)CSP(=S)(OC)OC
InChI
InChI=1S/C7H13N2O2PS4/c1-4-14-7-9-8-6(16-7)5-15-12(13,10-2)11-3/h4-5H2,1-3H3
InChIKey
UVYSGSMTBDHQNI-UHFFFAOYSA-N
Compound name
(5-ethylsulfanyl-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

315.95975 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.96703 157.6
[M+Na]+ 338.94897 166.1
[M-H]- 314.95247 156.1
[M+NH4]+ 333.99357 171.9
[M+K]+ 354.92291 159.2
[M+H-H2O]+ 298.95701 148.9
[M+HCOO]- 360.95795 163.7
[M+CH3COO]- 374.97360 202.2
[M+Na-2H]- 336.93442 154.4
[M]+ 315.95920 160.0
[M]- 315.96030 160.0
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.