CID 14029

4100 bis hc

Structural Information

Molecular Formula
C6H16O6P2
SMILES
CCOP(=O)(OCC)OP(OC)OC
InChI
InChI=1S/C6H16O6P2/c1-5-10-14(7,11-6-2)12-13(8-3)9-4/h5-6H2,1-4H3
InChIKey
PUYLGTLIKPXPRP-UHFFFAOYSA-N
Compound name
dimethoxyphosphanyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0422 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04948 155.4
[M+Na]+ 269.03142 161.8
[M-H]- 245.03492 153.4
[M+NH4]+ 264.07602 173.8
[M+K]+ 285.00536 164.4
[M+H-H2O]+ 229.03946 145.8
[M+HCOO]- 291.04040 188.4
[M+CH3COO]- 305.05605 193.9
[M+Na-2H]- 267.01687 156.4
[M]+ 246.04165 166.8
[M]- 246.04275 166.8
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.