CID 201069

Bayer 30468

Structural Information

Molecular Formula
C11H17O2PS2
SMILES
CCOP(=S)(C)OC1=CC=C(C=C1)SCC
InChI
InChI=1S/C11H17O2PS2/c1-4-12-14(3,15)13-10-6-8-11(9-7-10)16-5-2/h6-9H,4-5H2,1-3H3
InChIKey
SGFCKMQVHZWKIM-UHFFFAOYSA-N
Compound name
ethoxy-(4-ethylsulfanylphenoxy)-methyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.04077 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04805 156.3
[M+Na]+ 299.02999 163.5
[M-H]- 275.03349 158.6
[M+NH4]+ 294.07459 173.9
[M+K]+ 315.00393 159.4
[M+H-H2O]+ 259.03803 147.5
[M+HCOO]- 321.03897 174.2
[M+CH3COO]- 335.05462 197.4
[M+Na-2H]- 297.01544 154.9
[M]+ 276.04022 162.5
[M]- 276.04132 162.5
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

patents stripe