CID 87258

Stauffer r-7240

Structural Information

Molecular Formula
C6H10NO4PS3
SMILES
COP(=S)(OC)SCN1C(=O)CSC1=O
InChI
InChI=1S/C6H10NO4PS3/c1-10-12(13,11-2)15-4-7-5(8)3-14-6(7)9/h3-4H2,1-2H3
InChIKey
AVRCLFGJSYYCDL-UHFFFAOYSA-N
Compound name
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.95096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.95824 152.5
[M+Na]+ 309.94018 160.1
[M-H]- 285.94368 152.8
[M+NH4]+ 304.98478 169.4
[M+K]+ 325.91412 156.1
[M+H-H2O]+ 269.94822 144.8
[M+HCOO]- 331.94916 163.8
[M+CH3COO]- 345.96481 194.8
[M+Na-2H]- 307.92563 149.1
[M]+ 286.95041 156.2
[M]- 286.95151 156.2
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.