CID 65090

Xanthotoxol

Structural Information

Molecular Formula
C11H6O4
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O
InChI
InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H
InChIKey
JWVYQQGERKEAHW-UHFFFAOYSA-N
Compound name
9-hydroxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

54
References

789
Patents

202.02661 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03389 134.1
[M+Na]+ 225.01583 147.2
[M-H]- 201.01933 141.4
[M+NH4]+ 220.06043 154.5
[M+K]+ 240.98977 146.0
[M+H-H2O]+ 185.02387 129.5
[M+HCOO]- 247.02481 157.6
[M+CH3COO]- 261.04046 150.1
[M+Na-2H]- 223.00128 145.0
[M]+ 202.02606 140.3
[M]- 202.02716 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.