CID 76815

Bayer 30750

Structural Information

Molecular Formula
C11H17O4PS2
SMILES
CCOP(=S)(C)OC1=CC=C(C=C1)S(=O)(=O)CC
InChI
InChI=1S/C11H17O4PS2/c1-4-14-16(3,17)15-10-6-8-11(9-7-10)18(12,13)5-2/h6-9H,4-5H2,1-3H3
InChIKey
NOEYSRSSMYSCLW-UHFFFAOYSA-N
Compound name
ethoxy-(4-ethylsulfonylphenoxy)-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.03058 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03786 164.0
[M+Na]+ 331.01980 171.3
[M-H]- 307.02330 166.2
[M+NH4]+ 326.06440 179.9
[M+K]+ 346.99374 167.4
[M+H-H2O]+ 291.02784 155.2
[M+HCOO]- 353.02878 181.1
[M+CH3COO]- 367.04443 200.1
[M+Na-2H]- 329.00525 164.3
[M]+ 308.03003 170.9
[M]- 308.03113 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.