CID 19071

Brn 3110297

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₇S₂

SMILES

C1=C2C=C(C(=C(C2=C(C=C1S(=O)(=O)O)N)O)N)S(=O)(=O)O

InChI

InChI=1S/C10H10N2O7S2/c11-6-3-5(20(14,15)16)1-4-2-7(21(17,18)19)9(12)10(13)8(4)6/h1-3,13H,11-12H2,(H,14,15,16)(H,17,18,19)

InChIKey

WENLDQVDJNSONJ-UHFFFAOYSA-N

Compound name

3,5-diamino-4-hydroxynaphthalene-2,7-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 333.99295 Da
Monoisotopic Mass: 0.1
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]+	335.000226	165.7
[M+Na]+	356.982168	173.7
[M-H]-	332.985674	164.8
[M+NH4]+	352.026773	177.3
[M+K]+	372.956108	168.0
[M+H-H2O]+	316.990210	160.3
[M+HCOO]-	378.991151	173.3
[M+CH3COO]-	393.006801	202.7
[M+Na-2H]-	354.967616	170.9
[M]+	333.99240142	166.6
[M]-	333.99349858	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe