CID 66126

52-60-8

Structural Information

Molecular Formula
C13H21O3PS2
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C(=C1)C)SC)C
InChI
InChI=1S/C13H21O3PS2/c1-6-14-17(18,15-7-2)16-12-8-10(3)13(19-5)11(4)9-12/h8-9H,6-7H2,1-5H3
InChIKey
RYYJMLJORHNGST-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-4-methylsulfanylphenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

320.067 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07428 166.6
[M+Na]+ 343.05622 174.1
[M-H]- 319.05972 169.0
[M+NH4]+ 338.10082 182.8
[M+K]+ 359.03016 170.1
[M+H-H2O]+ 303.06426 157.6
[M+HCOO]- 365.06520 183.9
[M+CH3COO]- 379.08085 207.5
[M+Na-2H]- 341.04167 163.6
[M]+ 320.06645 175.6
[M]- 320.06755 175.6
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