CID 54680836

Hydroxycoumarin deriv. 19

Structural Information

Molecular Formula
C17H14O4
SMILES
C1=CC=C(C=C1)OCCC2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C17H14O4/c18-16-13-8-4-5-9-15(13)21-17(19)14(16)10-11-20-12-6-2-1-3-7-12/h1-9,18H,10-11H2
InChIKey
IGTUXCDRJMTIFL-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2-phenoxyethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

282.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.4
[M+Na]+ 305.07842 170.5
[M-H]- 281.08192 168.9
[M+NH4]+ 300.12302 176.2
[M+K]+ 321.05236 167.4
[M+H-H2O]+ 265.08646 153.4
[M+HCOO]- 327.08740 183.0
[M+CH3COO]- 341.10305 197.4
[M+Na-2H]- 303.06387 169.2
[M]+ 282.08865 165.1
[M]- 282.08975 165.1
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.