CID 135439982

Nsc625858

Structural Information

Molecular Formula

C₁₂H₉Cl₂N₃O

SMILES

C1=CC=NC(=C1)N/N=C/C2=C(C(=CC(=C2)Cl)Cl)O

InChI

InChI=1S/C12H9Cl2N3O/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11/h1-7,18H,(H,15,17)/b16-7+

InChIKey

JGDHSTZQVZGSEG-FRKPEAEDSA-N

Compound name

2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 281.01227 Da
Monoisotopic Mass: 3.7
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]+	282.01955	159.1
[M+Na]+	304.00149	169.0
[M-H]-	280.00499	164.1
[M+NH4]+	299.04609	174.6
[M+K]+	319.97543	162.2
[M+H-H2O]+	264.00953	152.1
[M+HCOO]-	326.01047	175.4
[M+CH3COO]-	340.02612	200.6
[M+Na-2H]-	301.98694	165.4
[M]+	281.01172	161.7
[M]-	281.01282	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe