CID 78456

Phosphinylidynetri methanol, cyclic phosphate

Structural Information

Molecular Formula
C3H6O5P2
SMILES
C1OP2(=O)OCP1(=O)CO2
InChI
InChI=1S/C3H6O5P2/c4-9-1-6-10(5,7-2-9)8-3-9/h1-3H2
InChIKey
IFXYBJPTUROFIZ-UHFFFAOYSA-N
Compound name
2,6,7-trioxa-1lambda5,4lambda5-diphosphabicyclo[2.2.2]octane 1,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.96904 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.976316 132.9
[M+Na]+ 206.958258 140.1
[M-H]- 182.961764 130.2
[M+NH4]+ 202.002863 157.5
[M+K]+ 222.932198 143.7
[M+H-H2O]+ 166.966300 124.2
[M+HCOO]- 228.967241 154.9
[M+CH3COO]- 242.982891 181.8
[M+Na-2H]- 204.943706 145.2
[M]+ 183.96849142 140.0
[M]- 183.96958858 140.0
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.