CID 5316933

2,3-dihydroxy-1,3-diphenyl-1-propanone

Structural Information

Molecular Formula
C15H14O3
SMILES
C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)O)O
InChI
InChI=1S/C15H14O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,13,15-16,18H
InChIKey
QOFVVEZPQRISRL-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.4
[M+Na]+ 265.08352 158.9
[M-H]- 241.08702 158.0
[M+NH4]+ 260.12812 169.5
[M+K]+ 281.05746 155.7
[M+H-H2O]+ 225.09156 147.4
[M+HCOO]- 287.09250 173.3
[M+CH3COO]- 301.10815 187.9
[M+Na-2H]- 263.06897 157.3
[M]+ 242.09375 151.8
[M]- 242.09485 151.8
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