CID 8336

117-55-5

Structural Information

Molecular Formula

C₁₀H₉NO₆S₂

SMILES

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

InChI

InChI=1S/C10H9NO6S2/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)

InChIKey

PHZVGKMVVKFBCX-UHFFFAOYSA-N

Compound name

4-aminonaphthalene-1,5-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 475
Patents: 302.98712 Da
Monoisotopic Mass: 0.0
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]+	303.99440	162.5
[M+Na]+	325.97634	171.4
[M+NH4]+	321.02094	167.7
[M+K]+	341.95028	165.7
[M-H]-	301.97984	161.0
[M+Na-2H]-	323.96179	165.2
[M]+	302.98657	164.0
[M]-	302.98767	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe