CID 172953

1,3,2-dioxaphosphorinane, 5,5-dimethyl-2-(2,4,6-trimethylphenoxy)-, 2-oxide

Structural Information

Molecular Formula
C14H21O4P
SMILES
CC1=CC(=C(C(=C1)C)OP2(=O)OCC(CO2)(C)C)C
InChI
InChI=1S/C14H21O4P/c1-10-6-11(2)13(12(3)7-10)18-19(15)16-8-14(4,5)9-17-19/h6-7H,8-9H2,1-5H3
InChIKey
BTCQUAFZBKNMIL-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-(2,4,6-trimethylphenoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12502 162.4
[M+Na]+ 307.10696 171.3
[M-H]- 283.11046 170.0
[M+NH4]+ 302.15156 180.8
[M+K]+ 323.08090 172.6
[M+H-H2O]+ 267.11500 154.5
[M+HCOO]- 329.11594 186.8
[M+CH3COO]- 343.13159 201.7
[M+Na-2H]- 305.09241 165.6
[M]+ 284.11719 167.2
[M]- 284.11829 167.2
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.