CID 176918

Rubrofusarin b(1-)

Structural Information

Molecular Formula
C16H14O5
SMILES
CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC)O
InChI
InChI=1S/C16H14O5/c1-8-4-11(17)15-13(21-8)6-9-5-10(19-2)7-12(20-3)14(9)16(15)18/h4-7,18H,1-3H3
InChIKey
HFPQKJMLIONCGP-UHFFFAOYSA-N
Compound name
5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

286.08414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 160.3
[M+Na]+ 309.07336 177.5
[M+NH4]+ 304.11796 168.5
[M+K]+ 325.04730 170.7
[M-H]- 285.07686 164.6
[M+Na-2H]- 307.05881 166.3
[M]+ 286.08359 164.2
[M]- 286.08469 164.2
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