CID 54676468

4-hydroxy-3-(o-isopropylphenyl)coumarin

Structural Information

Molecular Formula
C18H16O3
SMILES
CC(C)C1=CC=CC=C1C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C18H16O3/c1-11(2)12-7-3-4-8-13(12)16-17(19)14-9-5-6-10-15(14)21-18(16)20/h3-11,19H,1-2H3
InChIKey
GANAAJLJKAIISX-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2-propan-2-ylphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.117226 163.0
[M+Na]+ 303.099168 172.5
[M-H]- 279.102674 170.9
[M+NH4]+ 298.143773 178.3
[M+K]+ 319.073108 169.1
[M+H-H2O]+ 263.107210 155.4
[M+HCOO]- 325.108151 183.1
[M+CH3COO]- 339.123801 200.4
[M+Na-2H]- 301.084616 168.3
[M]+ 280.10940142 165.6
[M]- 280.11049858 165.6
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.