CID 66128

55-37-8

Structural Information

Molecular Formula
C11H17O3PS2
SMILES
CC1=CC(=CC(=C1SC)C)OP(=S)(OC)OC
InChI
InChI=1S/C11H17O3PS2/c1-8-6-10(7-9(2)11(8)17-5)14-15(16,12-3)13-4/h6-7H,1-5H3
InChIKey
QJRJJAATXDHPGQ-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-methylsulfanylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.03568 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04296 157.8
[M+Na]+ 315.02490 166.2
[M-H]- 291.02840 160.6
[M+NH4]+ 310.06950 175.1
[M+K]+ 330.99884 162.6
[M+H-H2O]+ 275.03294 149.2
[M+HCOO]- 337.03388 175.7
[M+CH3COO]- 351.04953 201.7
[M+Na-2H]- 313.01035 155.6
[M]+ 292.03513 166.1
[M]- 292.03623 166.1
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