CID 201358

Bayer 16948

Structural Information

Molecular Formula
C11H25O4PS2
SMILES
CCC(C)OCSCCOP(=S)(OCC)OCC
InChI
InChI=1S/C11H25O4PS2/c1-5-11(4)12-10-18-9-8-15-16(17,13-6-2)14-7-3/h11H,5-10H2,1-4H3
InChIKey
ZLFNKZOVCUJNSU-UHFFFAOYSA-N
Compound name
2-(butan-2-yloxymethylsulfanyl)ethoxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0932 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10048 170.3
[M+Na]+ 339.08242 175.9
[M+NH4]+ 334.12702 175.8
[M+K]+ 355.05636 168.5
[M-H]- 315.08592 167.4
[M+Na-2H]- 337.06787 169.3
[M]+ 316.09265 170.9
[M]- 316.09375 170.9
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.