CID 54676465

73791-12-5

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1=C(C(=CC=C1)C)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C17H14O3/c1-10-6-5-7-11(2)14(10)15-16(18)12-8-3-4-9-13(12)20-17(15)19/h3-9,18H,1-2H3
InChIKey
LCHOUNJVGVFWJJ-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylphenyl)-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 158.1
[M+Na]+ 289.08352 175.9
[M+NH4]+ 284.12812 167.3
[M+K]+ 305.05746 167.9
[M-H]- 265.08702 164.9
[M+Na-2H]- 287.06897 167.0
[M]+ 266.09375 162.9
[M]- 266.09485 162.9
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.