CID 135453893

Norrubrofusarin(1-)

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

CC1=CC(=C2C(=CC3=CC(=O)C=C(C3=C2O)O)O1)O

InChI

InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,16-18H,1H3

InChIKey

ZJCMSTGEFBOMJO-UHFFFAOYSA-N

Compound name

4,5,6-trihydroxy-2-methylbenzo[g]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 258.05283 Da
Monoisotopic Mass: 0.4
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]+	259.06011	151.3
[M+Na]+	281.04205	164.4
[M-H]-	257.04555	155.7
[M+NH4]+	276.08665	168.0
[M+K]+	297.01599	161.0
[M+H-H2O]+	241.05009	145.4
[M+HCOO]-	303.05103	170.7
[M+CH3COO]-	317.06668	191.8
[M+Na-2H]-	279.02750	159.5
[M]+	258.05228	156.1
[M]-	258.05338	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe