CID 6666

1,5-naphthalenedisulfonic acid

Structural Information

Molecular Formula

C₁₀H₈O₆S₂

SMILES

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

InChI

InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)

InChIKey

XTEGVFVZDVNBPF-UHFFFAOYSA-N

Compound name

naphthalene-1,5-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 73
References: 44805
Patents: 287.97623 Da
Monoisotopic Mass: 0.6
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]+	288.983506	157.6
[M+Na]+	310.965448	166.8
[M-H]-	286.968954	159.4
[M+NH4]+	306.010053	173.0
[M+K]+	326.939388	161.8
[M+H-H2O]+	270.973490	152.7
[M+HCOO]-	332.974431	166.7
[M+CH3COO]-	346.990081	188.2
[M+Na-2H]-	308.950896	164.5
[M]+	287.97568142	161.5
[M]-	287.97677858	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe