CID 72537

Rubrofusarin

Structural Information

Molecular Formula
C15H12O5
SMILES
CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O)O
InChI
InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3
InChIKey
FPNKCZKRICBAKG-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

129
Patents

272.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 156.3
[M+Na]+ 295.05770 173.2
[M+NH4]+ 290.10230 164.3
[M+K]+ 311.03164 166.9
[M-H]- 271.06120 160.2
[M+Na-2H]- 293.04315 162.0
[M]+ 272.06793 160.0
[M]- 272.06903 160.0
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