CID 13685333

Ns00062898

Structural Information

Molecular Formula

C₁₀H₉NO₇S₂

SMILES

C1=CC(=C2C=C(C=C(C2=C1N)S(=O)(=O)O)O)S(=O)(=O)O

InChI

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

InChIKey

VXULVXGOKIJXOF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 318.98206 Da
Monoisotopic Mass: -0.4
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]+	319.989336	162.8
[M+Na]+	341.971278	171.3
[M-H]-	317.974784	162.6
[M+NH4]+	337.015883	175.7
[M+K]+	357.945218	165.9
[M+H-H2O]+	301.979320	157.8
[M+HCOO]-	363.980261	170.4
[M+CH3COO]-	377.995911	196.0
[M+Na-2H]-	339.956726	168.7
[M]+	318.98151142	165.2
[M]-	318.98260858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe