CID 175728

1-(3-phenoxyphenyl)-4-isopropylbicycloorthocarboxylate

Structural Information

Molecular Formula
C20H22O4
SMILES
CC(C)C12COC(OC1)(OC2)C3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C20H22O4/c1-15(2)19-12-21-20(22-13-19,23-14-19)16-7-6-10-18(11-16)24-17-8-4-3-5-9-17/h3-11,15H,12-14H2,1-2H3
InChIKey
PLOZPRQFGJQCFY-UHFFFAOYSA-N
Compound name
1-(3-phenoxyphenyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1518 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 174.6
[M+Na]+ 349.14102 188.3
[M+NH4]+ 344.18562 187.7
[M+K]+ 365.11496 177.1
[M-H]- 325.14452 181.2
[M+Na-2H]- 347.12647 178.5
[M]+ 326.15125 179.1
[M]- 326.15235 179.1
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.