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
4
Annotation Hits

47
References

56693
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 158.1
[M+Na]+ 279.09917 164.1
[M-H]- 255.10267 164.5
[M+NH4]+ 274.14377 174.4
[M+K]+ 295.07311 161.8
[M+H-H2O]+ 239.10721 150.6
[M+HCOO]- 301.10815 180.1
[M+CH3COO]- 315.12380 194.5
[M+Na-2H]- 277.08462 164.7
[M]+ 256.10940 160.4
[M]- 256.11050 160.4
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