CID 522803

83863-63-2

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

2
Annotation Hits: 0
References: 326
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]+	249.021606	148.4
[M+Na]+	271.003548	160.9
[M-H]-	247.007054	154.9
[M+NH4]+	266.048153	168.7
[M+K]+	286.977488	157.9
[M+H-H2O]+	231.011590	144.4
[M+HCOO]-	293.012531	166.4
[M+CH3COO]-	307.028181	162.9
[M+Na-2H]-	268.988996	157.1
[M]+	248.01378142	155.3
[M]-	248.01487858	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe