CID 90795

2-hexyloxy-1,2-diphenylethanone

Structural Information

Molecular Formula
C20H24O2
SMILES
CCCCCCOC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H24O2/c1-2-3-4-11-16-22-20(18-14-9-6-10-15-18)19(21)17-12-7-5-8-13-17/h5-10,12-15,20H,2-4,11,16H2,1H3
InChIKey
RYZNARRKSYMPCW-UHFFFAOYSA-N
Compound name
2-hexoxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

296.17764 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.184916 174.0
[M+Na]+ 319.166858 177.6
[M-H]- 295.170364 179.3
[M+NH4]+ 314.211463 188.4
[M+K]+ 335.140798 173.7
[M+H-H2O]+ 279.174900 165.4
[M+HCOO]- 341.175841 194.9
[M+CH3COO]- 355.191491 204.8
[M+Na-2H]- 317.152306 176.2
[M]+ 296.17709142 176.0
[M]- 296.17818858 176.0
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

patents stripe