CID 90571

2,2-dimethoxy-2-phenylacetophenone

Structural Information

Molecular Formula
C16H16O3
SMILES
COC(C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKey
KWVGIHKZDCUPEU-UHFFFAOYSA-N
Compound name
2,2-dimethoxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

47
References

41332
Patents

256.10995 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 158.5
[M+Na]+ 279.09917 172.0
[M+NH4]+ 274.14377 166.5
[M+K]+ 295.07311 165.4
[M-H]- 255.10267 162.0
[M+Na-2H]- 277.08462 167.9
[M]+ 256.10940 161.5
[M]- 256.11050 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe