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 161.8
[M+Na]+ 315.02490 172.3
[M+NH4]+ 310.06950 169.3
[M+K]+ 330.99884 163.6
[M-H]- 291.02840 162.7
[M+Na-2H]- 313.01035 165.2
[M]+ 292.03513 164.5
[M]- 292.03623 164.5
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