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]+ 293.04296 159.1
[M+Na]+ 315.02490 165.9
[M-H]- 291.02840 161.3
[M+NH4]+ 310.06950 175.8
[M+K]+ 330.99884 162.2
[M+H-H2O]+ 275.03294 150.2
[M+HCOO]- 337.03388 176.2
[M+CH3COO]- 351.04953 199.3
[M+Na-2H]- 313.01035 157.0
[M]+ 292.03513 165.4
[M]- 292.03623 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.