CID 261540

42138-16-9

Structural Information

Molecular Formula

C₁₂H₈O₄S

SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C12H8O4S/c13-17(14,15)11-7-3-5-9-8-4-1-2-6-10(8)16-12(9)11/h1-7H,(H,13,14,15)

InChIKey

XISHFZZASFHUMB-UHFFFAOYSA-N

Compound name

dibenzofuran-4-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 248.01433 Da
Monoisotopic Mass: 2.4
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]+	249.02161	148.4
[M+Na]+	271.00355	160.9
[M-H]-	247.00705	154.9
[M+NH4]+	266.04815	168.7
[M+K]+	286.97749	157.9
[M+H-H2O]+	231.01159	144.4
[M+HCOO]-	293.01253	166.4
[M+CH3COO]-	307.02818	162.9
[M+Na-2H]-	268.98900	157.1
[M]+	248.01378	155.3
[M]-	248.01488	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe