CID 1822417

Sodium 6-hydroxynaphthalenesulphonate

Structural Information

Molecular Formula

C₁₀H₈O₄S

SMILES

C1=CC2=C(C=CC(=C2)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C10H8O4S/c11-8-4-5-9-7(6-8)2-1-3-10(9)15(12,13)14/h1-6,11H,(H,12,13,14)

InChIKey

SCOSSUFXFMVRJQ-UHFFFAOYSA-N

Compound name

6-hydroxynaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 545
Patents: 224.01433 Da
Monoisotopic Mass: 1.6
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]+	225.021606	142.5
[M+Na]+	247.003548	152.5
[M-H]-	223.007054	145.3
[M+NH4]+	242.048153	161.2
[M+K]+	262.977488	148.4
[M+H-H2O]+	207.011590	137.8
[M+HCOO]-	269.012531	158.1
[M+CH3COO]-	283.028181	180.0
[M+Na-2H]-	244.988996	149.4
[M]+	224.01378142	144.9
[M]-	224.01487858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe