CID 89585

Benzenethiosulphonic acid, anhydrosulphide with o,o-dimethyl hydrogen dithiophosphate

Structural Information

Molecular Formula
C8H11O4PS3
SMILES
COP(=S)(OC)SS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H11O4PS3/c1-11-13(14,12-2)15-16(9,10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
ZVBGXSLDEJEETH-UHFFFAOYSA-N
Compound name
benzenesulfonylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

297.95572 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.96300 158.5
[M+Na]+ 320.94494 165.7
[M-H]- 296.94844 159.9
[M+NH4]+ 315.98954 174.0
[M+K]+ 336.91888 160.3
[M+H-H2O]+ 280.95298 149.5
[M+HCOO]- 342.95392 170.9
[M+CH3COO]- 356.96957 195.5
[M+Na-2H]- 318.93039 159.8
[M]+ 297.95517 162.5
[M]- 297.95627 162.5
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

patents stripe