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

17
Patents

296.17764 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18492 174.0
[M+Na]+ 319.16686 177.6
[M-H]- 295.17036 179.3
[M+NH4]+ 314.21146 188.4
[M+K]+ 335.14080 173.7
[M+H-H2O]+ 279.17490 165.4
[M+HCOO]- 341.17584 194.9
[M+CH3COO]- 355.19149 204.8
[M+Na-2H]- 317.15231 176.2
[M]+ 296.17709 176.0
[M]- 296.17819 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