CID 239285

500347-73-9

Structural Information

Molecular Formula
C12H28O9P2
SMILES
CCOP(=O)(OCC)OCCOCCOP(=O)(OCC)OCC
InChI
InChI=1S/C12H28O9P2/c1-5-16-22(13,17-6-2)20-11-9-15-10-12-21-23(14,18-7-3)19-8-4/h5-12H2,1-4H3
InChIKey
CJAGHBDQWWLWAX-UHFFFAOYSA-N
Compound name
2-(2-diethoxyphosphoryloxyethoxy)ethyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

378.12085 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12813 194.1
[M+Na]+ 401.11007 197.7
[M-H]- 377.11357 190.5
[M+NH4]+ 396.15467 200.7
[M+K]+ 417.08401 189.1
[M+H-H2O]+ 361.11811 180.0
[M+HCOO]- 423.11905 215.9
[M+CH3COO]- 437.13470 216.8
[M+Na-2H]- 399.09552 180.7
[M]+ 378.12030 195.0
[M]- 378.12140 195.0
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