CID 139598052

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-yl)chromen-2-one

Structural Information

Molecular Formula
C19H16O3
SMILES
C1CC2=CC=CC=C2CC1C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C19H16O3/c20-18-15-7-3-4-8-16(15)22-19(21)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-8,14,20H,9-11H2
InChIKey
YNFKVAPNXKISEQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.117226 164.5
[M+Na]+ 315.099168 173.0
[M-H]- 291.102674 172.4
[M+NH4]+ 310.143773 179.8
[M+K]+ 331.073108 168.6
[M+H-H2O]+ 275.107210 156.1
[M+HCOO]- 337.108151 182.0
[M+CH3COO]- 351.123801 176.1
[M+Na-2H]- 313.084616 171.3
[M]+ 292.10940142 163.6
[M]- 292.11049858 163.6
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.