CID 462027

Schembl7045941

Structural Information

Molecular Formula
C13H28O7P2
SMILES
CC(C)OP(=O)(C(=O)P(=O)(OC(C)C)OC(C)C)OC(C)C
InChI
InChI=1S/C13H28O7P2/c1-9(2)17-21(15,18-10(3)4)13(14)22(16,19-11(5)6)20-12(7)8/h9-12H,1-8H3
InChIKey
QTMHWSCHEITWRJ-UHFFFAOYSA-N
Compound name
bis[di(propan-2-yloxy)phosphoryl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

358.131 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13828 185.7
[M+Na]+ 381.12022 193.2
[M-H]- 357.12372 188.7
[M+NH4]+ 376.16482 199.0
[M+K]+ 397.09416 187.5
[M+H-H2O]+ 341.12826 174.2
[M+HCOO]- 403.12920 196.4
[M+CH3COO]- 417.14485 218.3
[M+Na-2H]- 379.10567 176.8
[M]+ 358.13045 187.1
[M]- 358.13155 187.1
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.