CID 198609

Phenylphosphonothioic acid o-methyl o-(4-methylthiophenyl) ester

Structural Information

Molecular Formula
C14H15O2PS2
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)SC
InChI
InChI=1S/C14H15O2PS2/c1-15-17(18,13-6-4-3-5-7-13)16-12-8-10-14(19-2)11-9-12/h3-11H,1-2H3
InChIKey
RNJYYCAJVSZPEY-UHFFFAOYSA-N
Compound name
methoxy-(4-methylsulfanylphenoxy)-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.02512 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03240 163.6
[M+Na]+ 333.01434 171.2
[M-H]- 309.01784 169.0
[M+NH4]+ 328.05894 179.5
[M+K]+ 348.98828 166.0
[M+H-H2O]+ 293.02238 153.9
[M+HCOO]- 355.02332 182.3
[M+CH3COO]- 369.03897 201.9
[M+Na-2H]- 330.99979 163.4
[M]+ 310.02457 168.2
[M]- 310.02567 168.2
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.