CID 15592904

Diisopropyl isopropylphosphonate

Structural Information

Molecular Formula
C9H21O3P
SMILES
CC(C)OP(=O)(C(C)C)OC(C)C
InChI
InChI=1S/C9H21O3P/c1-7(2)11-13(10,9(5)6)12-8(3)4/h7-9H,1-6H3
InChIKey
UPFSQTGEVLHCIQ-UHFFFAOYSA-N
Compound name
2-[propan-2-yl(propan-2-yloxy)phosphoryl]oxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

208.12283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13011 149.1
[M+Na]+ 231.11205 156.6
[M+NH4]+ 226.15665 154.9
[M+K]+ 247.08599 154.2
[M-H]- 207.11555 146.1
[M+Na-2H]- 229.09750 149.8
[M]+ 208.12228 149.0
[M]- 208.12338 149.0
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