CID 73860

Dimethyl diethyl pyrophosphate

Structural Information

Molecular Formula
C6H16O7P2
SMILES
CCOP(=O)(OCC)OP(=O)(OC)OC
InChI
InChI=1S/C6H16O7P2/c1-5-11-15(8,12-6-2)13-14(7,9-3)10-4/h5-6H2,1-4H3
InChIKey
BEZLAYYFGVADSA-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

262.03714 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04442 156.3
[M+Na]+ 285.02636 163.4
[M-H]- 261.02986 154.5
[M+NH4]+ 280.07096 167.6
[M+K]+ 301.00030 166.0
[M+H-H2O]+ 245.03440 147.2
[M+HCOO]- 307.03534 186.5
[M+CH3COO]- 321.05099 194.8
[M+Na-2H]- 283.01181 160.5
[M]+ 262.03659 168.5
[M]- 262.03769 168.5
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