CID 7022

90-51-7

Structural Information

Molecular Formula

C₁₀H₉NO₄S

SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)N

InChI

InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)

InChIKey

HBZVNWNSRNTWPS-UHFFFAOYSA-N

Compound name

6-amino-4-hydroxynaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 4621
Patents: 239.02522 Da
Monoisotopic Mass: -0.9
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]+	240.03250	146.4
[M+Na]+	262.01444	156.1
[M-H]-	238.01794	148.6
[M+NH4]+	257.05904	163.9
[M+K]+	277.98838	151.6
[M+H-H2O]+	222.02248	141.3
[M+HCOO]-	284.02342	162.1
[M+CH3COO]-	298.03907	185.9
[M+Na-2H]-	259.99989	152.2
[M]+	239.02467	147.4
[M]-	239.02577	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe