CID 217082

Brn 1007439

Structural Information

Molecular Formula
C9H17N2O2PS4
SMILES
CCOP(=S)(OCC)SCC1=NN=C(S1)SCC
InChI
InChI=1S/C9H17N2O2PS4/c1-4-12-14(15,13-5-2)17-7-8-10-11-9(18-8)16-6-3/h4-7H2,1-3H3
InChIKey
OBUPJZIXDXHNGV-UHFFFAOYSA-N
Compound name
diethoxy-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.99106 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99834 164.9
[M+Na]+ 366.98028 172.6
[M-H]- 342.98378 163.1
[M+NH4]+ 362.02488 178.2
[M+K]+ 382.95422 165.3
[M+H-H2O]+ 326.98832 155.9
[M+HCOO]- 388.98926 170.6
[M+CH3COO]- 403.00491 207.5
[M+Na-2H]- 364.96573 161.1
[M]+ 343.99051 168.0
[M]- 343.99161 168.0
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.