CID 66658

90-40-4

Structural Information

Molecular Formula

C₁₀H₉NO₇S₂

SMILES

C1=C2C=C(C(=CC2=C(C=C1S(=O)(=O)O)O)N)S(=O)(=O)O

InChI

InChI=1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)

InChIKey

VNWVMZDJPMCAKD-UHFFFAOYSA-N

Compound name

3-amino-5-hydroxynaphthalene-2,7-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1246
Patents: 318.98206 Da
Monoisotopic Mass: 0.2
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]+	319.98934	165.7
[M+Na]+	341.97128	173.9
[M+NH4]+	337.01588	170.0
[M+K]+	357.94522	169.3
[M-H]-	317.97478	163.3
[M+Na-2H]-	339.95673	167.3
[M]+	318.98151	166.8
[M]-	318.98261	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe