CID 61039

115-91-3

Structural Information

Molecular Formula
C9H13O4PS2
SMILES
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)C
InChI
InChI=1S/C9H13O4PS2/c1-11-14(15,12-2)13-8-4-6-9(7-5-8)16(3)10/h4-7H,1-3H3
InChIKey
DYAVFUPXPKGVQO-UHFFFAOYSA-N
Compound name
dimethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.9993 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00658 153.5
[M+Na]+ 302.98852 160.9
[M-H]- 278.99202 156.0
[M+NH4]+ 298.03312 170.5
[M+K]+ 318.96246 158.1
[M+H-H2O]+ 262.99656 144.8
[M+HCOO]- 324.99750 171.6
[M+CH3COO]- 339.01315 195.4
[M+Na-2H]- 300.97397 152.7
[M]+ 279.99875 160.5
[M]- 279.99985 160.5
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