CID 298818

Nsc171156

Structural Information

Molecular Formula
C13H19O3P
SMILES
CC(C)(C)P1(=O)OCC(CO1)C2=CC=CC=C2
InChI
InChI=1S/C13H19O3P/c1-13(2,3)17(14)15-9-12(10-16-17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKey
GEDYGUITGDVRFT-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10718 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11446 160.1
[M+Na]+ 277.09640 166.3
[M-H]- 253.09990 166.6
[M+NH4]+ 272.14100 176.9
[M+K]+ 293.07034 167.1
[M+H-H2O]+ 237.10444 151.7
[M+HCOO]- 299.10538 183.1
[M+CH3COO]- 313.12103 193.0
[M+Na-2H]- 275.08185 164.8
[M]+ 254.10663 160.8
[M]- 254.10773 160.8
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.