CID 54676470

4-hydroxy-3-(m-tolyl)coumarin

Structural Information

Molecular Formula
C16H12O3
SMILES
CC1=CC(=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C16H12O3/c1-10-5-4-6-11(9-10)14-15(17)12-7-2-3-8-13(12)19-16(14)18/h2-9,17H,1H3
InChIKey
FNRLJHYJDIQOIO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-methylphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.07864 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe