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

literature stripe

Patent stripe

patents stripe