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

111
Patents

208.12283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.130106 151.6
[M+Na]+ 231.112048 157.3
[M-H]- 207.115554 150.7
[M+NH4]+ 226.156653 171.3
[M+K]+ 247.085988 158.6
[M+H-H2O]+ 191.120090 144.9
[M+HCOO]- 253.121031 176.0
[M+CH3COO]- 267.136681 191.1
[M+Na-2H]- 229.097496 150.7
[M]+ 208.12228142 157.1
[M]- 208.12337858 157.1
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