CID 21909513

3-hydroxy-2-methoxy-1,2-diphenylpropan-1-one

Structural Information

Molecular Formula
C16H16O3
SMILES
COC(CO)(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-19-16(12-17,14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,17H,12H2,1H3
InChIKey
DDLXBFDBKPCGQK-UHFFFAOYSA-N
Compound name
3-hydroxy-2-methoxy-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

581
Patents

256.10995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 158.4
[M+Na]+ 279.09917 164.0
[M-H]- 255.10267 163.4
[M+NH4]+ 274.14377 173.9
[M+K]+ 295.07311 160.8
[M+H-H2O]+ 239.10721 151.2
[M+HCOO]- 301.10815 178.9
[M+CH3COO]- 315.12380 191.9
[M+Na-2H]- 277.08462 164.5
[M]+ 256.10940 158.8
[M]- 256.11050 158.8
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