CID 219008

41524-09-8

Structural Information

Molecular Formula
C6H18O13P4
SMILES
COP(=O)(OC)OP(=O)(OC)OP(=O)(OC)OP(=O)(OC)OC
InChI
InChI=1S/C6H18O13P4/c1-11-20(7,12-2)17-22(9,15-5)19-23(10,16-6)18-21(8,13-3)14-4/h1-6H3
InChIKey
JNUNSOWOBBAUKB-UHFFFAOYSA-N
Compound name
dimethoxyphosphoryl [dimethoxyphosphoryloxy(methoxy)phosphoryl] methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

421.9698 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.97708 215.1
[M+Na]+ 444.95902 216.6
[M-H]- 420.96252 220.8
[M+NH4]+ 440.00362 228.4
[M+K]+ 460.93296 206.0
[M+H-H2O]+ 404.96706 185.9
[M+HCOO]- 466.96800 240.5
[M+CH3COO]- 480.98365 221.6
[M+Na-2H]- 442.94447 197.7
[M]+ 421.96925 219.2
[M]- 421.97035 219.2
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