CID 5280371

Bergaptol

Structural Information

Molecular Formula
C11H6O4
SMILES
C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O
InChI
InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
InChIKey
GIJHDGJRTUSBJR-UHFFFAOYSA-N
Compound name
4-hydroxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

50
References

796
Patents

202.02661 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.033886 134.1
[M+Na]+ 225.015828 147.2
[M-H]- 201.019334 141.4
[M+NH4]+ 220.060433 154.5
[M+K]+ 240.989768 146.0
[M+H-H2O]+ 185.023870 129.5
[M+HCOO]- 247.024811 157.6
[M+CH3COO]- 261.040461 150.1
[M+Na-2H]- 223.001276 145.0
[M]+ 202.02606142 140.3
[M]- 202.02715858 140.3
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