CID 6327350

Diisopropyl phosphonate

Structural Information

Molecular Formula
C6H14O3P
SMILES
CC(C)O[P+](=O)OC(C)C
InChI
InChI=1S/C6H14O3P/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3/q+1
InChIKey
BJLZAAWLLPMZQR-UHFFFAOYSA-N
Compound name
oxo-di(propan-2-yloxy)phosphanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

2276
Patents

165.06805 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07533 137.0
[M+Na]+ 188.05727 143.7
[M-H]- 164.06077 136.8
[M+NH4]+ 183.10187 158.1
[M+K]+ 204.03121 140.0
[M+H-H2O]+ 148.06531 133.2
[M+HCOO]- 210.06625 163.8
[M+CH3COO]- 224.08190 174.6
[M+Na-2H]- 186.04272 139.4
[M]+ 165.06750 140.5
[M]- 165.06860 140.5
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