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
3
Annotation Hits

55117
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

literature stripe

Patent stripe

patents stripe