CID 151467

4',5'-dihydropsoralen

Structural Information

Molecular Formula
C11H8O3
SMILES
C1COC2=C1C=C3C=CC(=O)OC3=C2
InChI
InChI=1S/C11H8O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-2,5-6H,3-4H2
InChIKey
VXGRJERITKFWPL-UHFFFAOYSA-N
Compound name
2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33370
Patents

188.04735 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 132.6
[M+Na]+ 211.036568 143.3
[M-H]- 187.040074 140.1
[M+NH4]+ 206.081173 153.9
[M+K]+ 227.010508 142.6
[M+H-H2O]+ 171.044610 127.7
[M+HCOO]- 233.045551 154.6
[M+CH3COO]- 247.061201 147.9
[M+Na-2H]- 209.022016 142.6
[M]+ 188.04680142 135.8
[M]- 188.04789858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe