Einecs 256-459-4 (C26H20Cl2N4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)O)C)Cl)Cl)O

InChI

InChI=1S/C26H20Cl2N4O2/c1-15-11-19(5-9-25(15)33)29-31-23-7-3-17(13-21(23)27)18-4-8-24(22(28)14-18)32-30-20-6-10-26(34)16(2)12-20/h3-14,33-34H,1-2H3

InChIKey

RKYWHGMMZMVODH-UHFFFAOYSA-N

Compound name

4-[[2-chloro-4-[3-chloro-4-[(4-hydroxy-3-methylphenyl)diazenyl]phenyl]phenyl]diazenyl]-2-methylphenol

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]+	491.103616	223.3
[M+Na]+	513.085558	233.2
[M-H]-	489.089064	238.1
[M+NH4]+	508.130163	232.3
[M+K]+	529.059498	225.9
[M+H-H2O]+	473.093600	211.9
[M+HCOO]-	535.094541	243.4
[M+CH3COO]-	549.110191	232.7
[M+Na-2H]-	511.071006	224.7
[M]+	490.09579142	230.8
[M]-	490.09688858	230.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.103616

223.3

[M+Na]+

513.085558

233.2

[M-H]-

489.089064

238.1

[M+NH4]+

508.130163

232.3

[M+K]+

529.059498

225.9

[M+H-H2O]+

473.093600

211.9

[M+HCOO]-

535.094541

243.4

[M+CH3COO]-

549.110191

232.7

[M+Na-2H]-

511.071006

224.7

[M]+

490.09579142

230.8

[M]-

490.09688858

230.8

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

Einecs 256-459-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe