CID 5385192

5-hydroxyxanthotoxin

Structural Information

Molecular Formula
C12H8O5
SMILES
COC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2
InChI
InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
InChIKey
XPFCGZWOHNGDSP-UHFFFAOYSA-N
Compound name
4-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

25
Patents

232.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04445 142.0
[M+Na]+ 255.02639 155.3
[M-H]- 231.02989 149.6
[M+NH4]+ 250.07099 161.4
[M+K]+ 271.00033 154.6
[M+H-H2O]+ 215.03443 137.2
[M+HCOO]- 277.03537 165.3
[M+CH3COO]- 291.05102 157.7
[M+Na-2H]- 253.01184 151.8
[M]+ 232.03662 150.4
[M]- 232.03772 150.4
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