CID 19657

Dioxabenzofos

Structural Information

Molecular Formula
C8H9O3PS
SMILES
COP1(=S)OCC2=CC=CC=C2O1
InChI
InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
InChIKey
OUNSASXJZHBGAI-UHFFFAOYSA-N
Compound name
2-methoxy-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

16690
Patents

216.001 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00828 139.6
[M+Na]+ 238.99022 152.4
[M+NH4]+ 234.03482 150.2
[M+K]+ 254.96416 143.2
[M-H]- 214.99372 144.5
[M+Na-2H]- 236.97567 145.8
[M]+ 216.00045 143.5
[M]- 216.00155 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe