CID 522803

Dibenzo[b,d]furan-2-sulfonic acid

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)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H,(H,13,14,15)

InChIKey

JANFYPHFIPGYTQ-UHFFFAOYSA-N

Compound name

dibenzofuran-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 308
Patents: 248.01433 Da
Monoisotopic Mass: 2.9
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	148.8
[M+Na]+	271.00355	162.9
[M+NH4]+	266.04815	157.8
[M+K]+	286.97749	157.1
[M-H]-	247.00705	151.8
[M+Na-2H]-	268.98900	154.5
[M]+	248.01378	152.3
[M]-	248.01488	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe