CID 208268

Brn 0529309

Structural Information

Molecular Formula
C6H11N2O3PS2
SMILES
CC1=NN=C(O1)CSP(=S)(OC)OC
InChI
InChI=1S/C6H11N2O3PS2/c1-5-7-8-6(11-5)4-14-12(13,9-2)10-3/h4H2,1-3H3
InChIKey
NKOLWEHFKWNHMV-UHFFFAOYSA-N
Compound name
dimethoxy-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99487 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00215 147.8
[M+Na]+ 276.98409 157.3
[M-H]- 252.98759 148.9
[M+NH4]+ 272.02869 164.3
[M+K]+ 292.95803 156.3
[M+H-H2O]+ 236.99213 139.3
[M+HCOO]- 298.99307 165.3
[M+CH3COO]- 313.00872 189.9
[M+Na-2H]- 274.96954 146.9
[M]+ 253.99432 155.5
[M]- 253.99542 155.5
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.