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]+ 281.11723 163.0
[M+Na]+ 303.09917 172.5
[M-H]- 279.10267 170.9
[M+NH4]+ 298.14377 178.3
[M+K]+ 319.07311 169.1
[M+H-H2O]+ 263.10721 155.4
[M+HCOO]- 325.10815 183.1
[M+CH3COO]- 339.12380 200.4
[M+Na-2H]- 301.08462 168.3
[M]+ 280.10940 165.6
[M]- 280.11050 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.