CID 9543072

1,2-dihydroxynaphthalene-6-sulfonate

Structural Information

Molecular Formula

C₁₀H₈O₅S

SMILES

C1=CC2=C(C=CC(=C2O)O)C=C1S(=O)(=O)O

InChI

InChI=1S/C10H8O5S/c11-9-4-1-6-5-7(16(13,14)15)2-3-8(6)10(9)12/h1-5,11-12H,(H,13,14,15)

InChIKey

BMLXRHYQPFZFNY-UHFFFAOYSA-N

Compound name

5,6-dihydroxynaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 240.00925 Da
Monoisotopic Mass: 1.2
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]+	241.016526	145.6
[M+Na]+	262.998468	155.5
[M-H]-	239.001974	147.1
[M+NH4]+	258.043073	162.9
[M+K]+	278.972408	151.3
[M+H-H2O]+	223.006510	141.0
[M+HCOO]-	285.007451	159.7
[M+CH3COO]-	299.023101	181.2
[M+Na-2H]-	260.983916	151.6
[M]+	240.00870142	148.0
[M]-	240.00979858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe