CID 70897

1174-83-0

Structural Information

Molecular Formula
C16H20O8P2S3
SMILES
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OP(=S)(OC)OC
InChI
InChI=1S/C16H20O8P2S3/c1-19-25(27,20-2)23-13-5-9-15(10-6-13)29(17,18)16-11-7-14(8-12-16)24-26(28,21-3)22-4/h5-12H,1-4H3
InChIKey
ZFHDDQUVNSDLLJ-UHFFFAOYSA-N
Compound name
[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfonylphenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.97955 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.986826 197.8
[M+Na]+ 520.968768 201.6
[M-H]- 496.972274 200.2
[M+NH4]+ 516.013373 205.1
[M+K]+ 536.942708 197.8
[M+H-H2O]+ 480.976810 183.9
[M+HCOO]- 542.977751 215.1
[M+CH3COO]- 556.993401 230.6
[M+Na-2H]- 518.954216 200.7
[M]+ 497.97900142 206.0
[M]- 497.98009858 206.0
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.