CID 8420

Naphthalene-2-sulfonic acid

Structural Information

Molecular Formula

C₁₀H₈O₃S

SMILES

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

InChI

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

InChIKey

KVBGVZZKJNLNJU-UHFFFAOYSA-N

Compound name

naphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 65
References: 224485
Patents: 208.01941 Da
Monoisotopic Mass: 0.6
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]+	209.02669	140.3
[M+Na]+	231.00863	153.7
[M+NH4]+	226.05323	149.2
[M+K]+	246.98257	145.8
[M-H]-	207.01213	142.0
[M+Na-2H]-	228.99408	147.2
[M]+	208.01886	143.3
[M]-	208.01996	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe