CID 102579137

Methyl sulfotep

Structural Information

Molecular Formula
C4H12O5P2S2
SMILES
COP(=S)(OC)OP(=S)(OC)OC
InChI
InChI=1S/C4H12O5P2S2/c1-5-10(12,6-2)9-11(13,7-3)8-4/h1-4H3
InChIKey
XKBNJDRCYDBEAH-UHFFFAOYSA-N
Compound name
dimethoxyphosphinothioyloxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.96014 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.96742 148.0
[M+Na]+ 288.94936 154.7
[M-H]- 264.95286 146.2
[M+NH4]+ 283.99396 165.9
[M+K]+ 304.92330 153.9
[M+H-H2O]+ 248.95740 137.7
[M+HCOO]- 310.95834 171.4
[M+CH3COO]- 324.97399 192.9
[M+Na-2H]- 286.93481 148.0
[M]+ 265.95959 157.5
[M]- 265.96069 157.5
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.