CID 174421

85187-44-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₆S₂

SMILES

C1=CC(=C(C2=C1C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)N)N

InChI

InChI=1S/C10H10N2O6S2/c11-8-2-1-6-7(10(8)12)3-5(19(13,14)15)4-9(6)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)

InChIKey

KHEHRJJAWUJGDW-UHFFFAOYSA-N

Compound name

5,6-diaminonaphthalene-1,3-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 72
Patents: 317.99802 Da
Monoisotopic Mass: -0.7
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]+	319.00530	165.6
[M+Na]+	340.98724	173.2
[M+NH4]+	336.03184	170.1
[M+K]+	356.96118	168.5
[M-H]-	316.99074	164.2
[M+Na-2H]-	338.97269	167.6
[M]+	317.99747	166.8
[M]-	317.99857	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe