CID 178667

2-octyl-4h-1,3,2-benzodioxaphosphorin 2-oxide

Structural Information

Molecular Formula
C15H23O3P
SMILES
CCCCCCCCP1(=O)OCC2=CC=CC=C2O1
InChI
InChI=1S/C15H23O3P/c1-2-3-4-5-6-9-12-19(16)17-13-14-10-7-8-11-15(14)18-19/h7-8,10-11H,2-6,9,12-13H2,1H3
InChIKey
YTURVHUJFLMJCA-UHFFFAOYSA-N
Compound name
2-octyl-4H-1,3,2lambda5-benzodioxaphosphinine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

282.1385 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14578 170.5
[M+Na]+ 305.12772 176.3
[M-H]- 281.13122 174.0
[M+NH4]+ 300.17232 187.2
[M+K]+ 321.10166 175.6
[M+H-H2O]+ 265.13576 161.3
[M+HCOO]- 327.13670 193.9
[M+CH3COO]- 341.15235 200.7
[M+Na-2H]- 303.11317 174.3
[M]+ 282.13795 175.0
[M]- 282.13905 175.0
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

No patent data available for this compound.