CID 217078

Brn 0999370

Structural Information

Molecular Formula
C6H11N2O2PS4
SMILES
COP(=S)(OC)SCC1=NN=C(S1)SC
InChI
InChI=1S/C6H11N2O2PS4/c1-9-11(12,10-2)14-4-5-7-8-6(13-3)15-5/h4H2,1-3H3
InChIKey
BIFGZYJQLNODLC-UHFFFAOYSA-N
Compound name
dimethoxy-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.9441 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.95138 153.9
[M+Na]+ 324.93332 162.8
[M-H]- 300.93682 152.6
[M+NH4]+ 319.97792 168.7
[M+K]+ 340.90726 156.1
[M+H-H2O]+ 284.94136 145.4
[M+HCOO]- 346.94230 160.3
[M+CH3COO]- 360.95795 199.5
[M+Na-2H]- 322.91877 151.0
[M]+ 301.94355 156.0
[M]- 301.94465 156.0
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.