CID 66523

4,5-dihydroxy-1-naphthalenesulfonic acid

Structural Information

Molecular Formula

C₁₀H₈O₅S

SMILES

C1=CC2=C(C=CC(=C2C(=C1)O)O)S(=O)(=O)O

InChI

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

InChIKey

DBTLNKQGKRKJBT-UHFFFAOYSA-N

Compound name

4,5-dihydroxynaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 240.00925 Da
Monoisotopic Mass: 1.8
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]+	241.01653	147.2
[M+Na]+	262.99847	159.1
[M+NH4]+	258.04307	154.1
[M+K]+	278.97241	153.4
[M-H]-	239.00197	146.8
[M+Na-2H]-	260.98392	151.5
[M]+	240.00870	149.1
[M]-	240.00980	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe