CID 3084704

2-dodecyloxy-2-phenylacetophenone

Structural Information

Molecular Formula
C26H36O2
SMILES
CCCCCCCCCCCCO[C@@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C26H36O2/c1-2-3-4-5-6-7-8-9-10-17-22-28-26(24-20-15-12-16-21-24)25(27)23-18-13-11-14-19-23/h11-16,18-21,26H,2-10,17,22H2,1H3/t26-/m0/s1
InChIKey
FRDPGGLLENAOGW-SANMLTNESA-N
Compound name
(2S)-2-dodecoxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.27155 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.27883 201.6
[M+Na]+ 403.26077 202.4
[M-H]- 379.26427 205.5
[M+NH4]+ 398.30537 212.4
[M+K]+ 419.23471 197.0
[M+H-H2O]+ 363.26881 191.5
[M+HCOO]- 425.26975 220.2
[M+CH3COO]- 439.28540 222.5
[M+Na-2H]- 401.24622 200.4
[M]+ 380.27100 205.5
[M]- 380.27210 205.5
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.