PubChemLite - Dnpns (C16H10N4O11S2)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H10N4O11S2/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25/h1-7,21H,(H,26,27,28)(H,29,30,31)

InChIKey

AYCFJUKXFTYTGH-UHFFFAOYSA-N

Compound name

3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid

Related CIDs

2D Structure

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]+	498.98604	197.5
[M+Na]+	520.96798	198.1
[M-H]-	496.97148	201.9
[M+NH4]+	516.01258	200.1
[M+K]+	536.94192	186.2
[M+H-H2O]+	480.97602	196.2
[M+HCOO]-	542.97696	209.0
[M+CH3COO]-	556.99261	221.6
[M+Na-2H]-	518.95343	213.6
[M]+	497.97821	196.2
[M]-	497.97931	196.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.98604

197.5

[M+Na]+

520.96798

198.1

[M-H]-

496.97148

201.9

[M+NH4]+

516.01258

200.1

[M+K]+

536.94192

186.2

[M+H-H2O]+

480.97602

196.2

[M+HCOO]-

542.97696

209.0

[M+CH3COO]-

556.99261

221.6

[M+Na-2H]-

518.95343

213.6

[M]+

497.97821

196.2

[M]-

497.97931

196.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dnpns

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe