765284-83-1 (C25H16BrClN2O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C25H16BrClN2O4/c26-18-9-10-23(33-25(32)19-7-3-4-8-21(19)27)17(11-18)14-28-29-24(31)20-12-15-5-1-2-6-16(15)13-22(20)30/h1-14,30H,(H,29,31)/b28-14+

InChIKey

HIBBDWQCVBXNJR-CCVNUDIWSA-N

Compound name

[4-bromo-2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

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]+	523.005476	212.7
[M+Na]+	544.987418	221.8
[M-H]-	520.990924	224.7
[M+NH4]+	540.032023	223.1
[M+K]+	560.961358	208.6
[M+H-H2O]+	504.995460	208.7
[M+HCOO]-	566.996401	228.0
[M+CH3COO]-	581.012051	240.3
[M+Na-2H]-	542.972866	215.7
[M]+	521.99765142	234.5
[M]-	521.99874858	234.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.005476

212.7

[M+Na]+

544.987418

221.8

[M-H]-

520.990924

224.7

[M+NH4]+

540.032023

223.1

[M+K]+

560.961358

208.6

[M+H-H2O]+

504.995460

208.7

[M+HCOO]-

566.996401

228.0

[M+CH3COO]-

581.012051

240.3

[M+Na-2H]-

542.972866

215.7

[M]+

521.99765142

234.5

[M]-

521.99874858

234.5

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

765284-83-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe