CID 66152

74-60-2

Structural Information

Molecular Formula
C13H21O4PS2
SMILES
CC(C)OP(=S)(OC1=CC=C(C=C1)S(=O)C)OC(C)C
InChI
InChI=1S/C13H21O4PS2/c1-10(2)15-18(19,16-11(3)4)17-12-6-8-13(9-7-12)20(5)14/h6-11H,1-5H3
InChIKey
ZAHCGJGQTLXHMW-UHFFFAOYSA-N
Compound name
(4-methylsulfinylphenoxy)-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0619 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06918 170.1
[M+Na]+ 359.05112 174.9
[M-H]- 335.05462 171.8
[M+NH4]+ 354.09572 184.6
[M+K]+ 375.02506 172.4
[M+H-H2O]+ 319.05916 160.8
[M+HCOO]- 381.06010 184.7
[M+CH3COO]- 395.07575 208.7
[M+Na-2H]- 357.03657 165.9
[M]+ 336.06135 177.3
[M]- 336.06245 177.3
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.