CID 6812

1-naphthalenesulfonic acid

Structural Information

Molecular Formula

C₁₀H₈O₃S

SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O

InChI

InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)

InChIKey

PSZYNBSKGUBXEH-UHFFFAOYSA-N

Compound name

naphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 87
References: 141496
Patents: 208.01941 Da
Monoisotopic Mass: 1.9
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]+	209.02669	139.4
[M+Na]+	231.00863	149.2
[M-H]-	207.01213	143.3
[M+NH4]+	226.05323	159.3
[M+K]+	246.98257	145.4
[M+H-H2O]+	191.01667	134.4
[M+HCOO]-	253.01761	156.4
[M+CH3COO]-	267.03326	179.0
[M+Na-2H]-	228.99408	147.1
[M]+	208.01886	141.8
[M]-	208.01996	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe