CID 76741

Bayer 29709

Structural Information

Molecular Formula
C13H21O4PS2
SMILES
CCCOP(=S)(OCCC)OC1=CC=C(C=C1)S(=O)C
InChI
InChI=1S/C13H21O4PS2/c1-4-10-15-18(19,16-11-5-2)17-12-6-8-13(9-7-12)20(3)14/h6-9H,4-5,10-11H2,1-3H3
InChIKey
LMXCIGBULAWAIL-UHFFFAOYSA-N
Compound name
(4-methylsulfinylphenoxy)-dipropoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0619 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06918 171.2
[M+Na]+ 359.05112 176.8
[M-H]- 335.05462 172.9
[M+NH4]+ 354.09572 185.9
[M+K]+ 375.02506 173.1
[M+H-H2O]+ 319.05916 161.7
[M+HCOO]- 381.06010 188.0
[M+CH3COO]- 395.07575 207.1
[M+Na-2H]- 357.03657 168.6
[M]+ 336.06135 179.5
[M]- 336.06245 179.5
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

No patent data available for this compound.