CID 265711

3-hydroxy-2-(4-methylphenyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C16H12O3
SMILES
CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O
InChI
InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)16-15(18)14(17)12-4-2-3-5-13(12)19-16/h2-9,18H,1H3
InChIKey
QAHZLNKOVIYDGB-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(4-methylphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

13
Patents

252.07864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.085916 153.5
[M+Na]+ 275.067858 164.3
[M-H]- 251.071364 161.7
[M+NH4]+ 270.112463 170.1
[M+K]+ 291.041798 160.7
[M+H-H2O]+ 235.075900 146.2
[M+HCOO]- 297.076841 175.4
[M+CH3COO]- 311.092491 167.1
[M+Na-2H]- 273.053306 161.1
[M]+ 252.07809142 156.0
[M]- 252.07918858 156.0
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