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

4
Annotation Hits: 25
References: 152
Patents: 272.06848 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.075756	155.6
[M+Na]+	295.057698	168.6
[M-H]-	271.061204	161.2
[M+NH4]+	290.102303	172.4
[M+K]+	311.031638	165.9
[M+H-H2O]+	255.065740	149.1
[M+HCOO]-	317.066681	176.2
[M+CH3COO]-	331.082331	196.9
[M+Na-2H]-	293.043146	163.7
[M]+	272.06793142	162.5
[M]-	272.06902858	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe