CID 201151

Phosphonic acid, methyl-, methyl ester, anhydride with dimethyl phosphate

Structural Information

Molecular Formula
C4H12O6P2
SMILES
COP(=O)(C)OP(=O)(OC)OC
InChI
InChI=1S/C4H12O6P2/c1-7-11(4,5)10-12(6,8-2)9-3/h1-4H3
InChIKey
AOENPUYWBQWXDF-UHFFFAOYSA-N
Compound name
[methoxy(methyl)phosphoryl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.01091 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01819 144.9
[M+Na]+ 241.00013 153.0
[M-H]- 217.00363 143.5
[M+NH4]+ 236.04473 164.6
[M+K]+ 256.97407 155.5
[M+H-H2O]+ 201.00817 136.4
[M+HCOO]- 263.00911 178.2
[M+CH3COO]- 277.02476 186.6
[M+Na-2H]- 238.98558 149.6
[M]+ 218.01036 155.0
[M]- 218.01146 155.0
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

patents stripe