CID 66787

96-77-5

Structural Information

Molecular Formula

C₆H₆O₇S₂

SMILES

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C6H6O7S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3,7H,(H,8,9,10)(H,11,12,13)

InChIKey

JXBUOZMYKQDZFY-UHFFFAOYSA-N

Compound name

4-hydroxybenzene-1,3-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 982
Patents: 253.95549 Da
Monoisotopic Mass: -1.0
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]+	254.96277	151.9
[M+Na]+	276.94471	159.8
[M+NH4]+	271.98931	156.2
[M+K]+	292.91865	155.6
[M-H]-	252.94821	148.3
[M+Na-2H]-	274.93016	153.3
[M]+	253.95494	152.6
[M]-	253.95604	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe