CID 65740

82-47-3

Structural Information

Molecular Formula

C₁₀H₉NO₇S₂

SMILES

C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)N

InChI

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

InChIKey

ZFRBZRZEKIOGQI-UHFFFAOYSA-N

Compound name

4-amino-5-hydroxynaphthalene-1,3-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1202
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	162.8
[M+Na]+	341.97128	171.3
[M-H]-	317.97478	162.6
[M+NH4]+	337.01588	175.7
[M+K]+	357.94522	165.9
[M+H-H2O]+	301.97932	157.8
[M+HCOO]-	363.98026	170.4
[M+CH3COO]-	377.99591	196.0
[M+Na-2H]-	339.95673	168.7
[M]+	318.98151	165.2
[M]-	318.98261	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe