CID 3084705

2-(2-ethylhexyloxy)-2-phenylacetophenone

Structural Information

Molecular Formula
C22H28O2
SMILES
CCCC[C@@H](CC)CO[C@@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H28O2/c1-3-5-12-18(4-2)17-24-22(20-15-10-7-11-16-20)21(23)19-13-8-6-9-14-19/h6-11,13-16,18,22H,3-5,12,17H2,1-2H3/t18-,22+/m1/s1
InChIKey
BKQRBKNZMLWPDY-GCJKJVERSA-N
Compound name
(2S)-2-[(2R)-2-ethylhexoxy]-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

324.20892 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21620 183.4
[M+Na]+ 347.19814 185.7
[M-H]- 323.20164 188.3
[M+NH4]+ 342.24274 196.5
[M+K]+ 363.17208 181.9
[M+H-H2O]+ 307.20618 174.4
[M+HCOO]- 369.20712 202.5
[M+CH3COO]- 383.22277 211.6
[M+Na-2H]- 345.18359 183.2
[M]+ 324.20837 185.4
[M]- 324.20947 185.4
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.