PubChemLite - Cobaltate(1-), bis(3-((1-(2,5-dichlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonamidato(2-))-, sodium (C16H13Cl2N5O4S)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=O)N(N1)C2=C(C=CC(=C2)Cl)Cl)N=NC3=C(C=CC(=C3)S(=O)(=O)N)O

InChI

InChI=1S/C16H13Cl2N5O4S/c1-8-15(16(25)23(22-8)13-6-9(17)2-4-11(13)18)21-20-12-7-10(28(19,26)27)3-5-14(12)24/h2-7,22,24H,1H3,(H2,19,26,27)

InChIKey

MKSOFDNHRHLFRN-UHFFFAOYSA-N

Compound name

3-[[2-(2,5-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxybenzenesulfonamide

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]+	442.01381	200.3
[M+Na]+	463.99575	212.0
[M-H]-	439.99925	208.8
[M+NH4]+	459.04035	210.2
[M+K]+	479.96969	204.5
[M+H-H2O]+	424.00379	193.0
[M+HCOO]-	486.00473	210.8
[M+CH3COO]-	500.02038	229.2
[M+Na-2H]-	461.98120	200.7
[M]+	441.00598	206.7
[M]-	441.00708	206.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.01381

200.3

[M+Na]+

463.99575

212.0

[M-H]-

439.99925

208.8

[M+NH4]+

459.04035

210.2

[M+K]+

479.96969

204.5

[M+H-H2O]+

424.00379

193.0

[M+HCOO]-

486.00473

210.8

[M+CH3COO]-

500.02038

229.2

[M+Na-2H]-

461.98120

200.7

[M]+

441.00598

206.7

[M]-

441.00708

206.7

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

Cobaltate(1-), bis(3-((1-(2,5-dichlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonamidato(2-))-, sodium

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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