CID 218668

Methanol, phosphinylidynetri-, cyclic phosphite

Structural Information

Molecular Formula
C3H6O4P2
SMILES
C1OP2OCP1(=O)CO2
InChI
InChI=1S/C3H6O4P2/c4-9-1-5-8(6-2-9)7-3-9/h1-3H2
InChIKey
NBKQGJFTSPNBQA-UHFFFAOYSA-N
Compound name
2,6,7-trioxa-1,4lambda5-diphosphabicyclo[2.2.2]octane 4-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.97414 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98142 133.0
[M+Na]+ 190.96336 139.0
[M-H]- 166.96686 130.0
[M+NH4]+ 186.00796 156.4
[M+K]+ 206.93730 142.6
[M+H-H2O]+ 150.97140 124.2
[M+HCOO]- 212.97234 154.9
[M+CH3COO]- 226.98799 180.6
[M+Na-2H]- 188.94881 143.5
[M]+ 167.97359 138.8
[M]- 167.97469 138.8
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.