CID 200745

Bayer 30749

Structural Information

Molecular Formula
C11H17O3PS2
SMILES
CCOP(=S)(C)OC1=CC=C(C=C1)S(=O)CC
InChI
InChI=1S/C11H17O3PS2/c1-4-13-15(3,16)14-10-6-8-11(9-7-10)17(12)5-2/h6-9H,4-5H2,1-3H3
InChIKey
IROSXIRULMEBND-UHFFFAOYSA-N
Compound name
ethoxy-(4-ethylsulfinylphenoxy)-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.03568 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.042956 159.1
[M+Na]+ 315.024898 165.9
[M-H]- 291.028404 161.3
[M+NH4]+ 310.069503 175.8
[M+K]+ 330.998838 162.2
[M+H-H2O]+ 275.032940 150.2
[M+HCOO]- 337.033881 176.2
[M+CH3COO]- 351.049531 199.3
[M+Na-2H]- 313.010346 157.0
[M]+ 292.03513142 165.4
[M]- 292.03622858 165.4
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.