CID 6790

Naphthionic acid

Structural Information

Molecular Formula

C₁₀H₉NO₃S

SMILES

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

InChI

InChI=1S/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)

InChIKey

NRZRRZAVMCAKEP-UHFFFAOYSA-N

Compound name

4-aminonaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 26
References: 3559
Patents: 223.03032 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]+	224.03760	143.2
[M+Na]+	246.01954	152.9
[M-H]-	222.02304	146.7
[M+NH4]+	241.06414	162.1
[M+K]+	261.99348	148.5
[M+H-H2O]+	206.02758	138.0
[M+HCOO]-	268.02852	160.4
[M+CH3COO]-	282.04417	184.7
[M+Na-2H]-	244.00499	149.8
[M]+	223.02977	144.2
[M]-	223.03087	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe