CID 85393

Einecs 240-441-8

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O₂

SMILES

COC1=CC=C(C=C1)NNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O2/c1-19-13-8-6-12(7-9-13)16-17-14(18)10-2-4-11(15)5-3-10/h2-9,16H,1H3,(H,17,18)

InChIKey

IJTQUXKLUPYVCA-UHFFFAOYSA-N

Compound name

4-chloro-N'-(4-methoxyphenyl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 276.06656 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]+	277.07384	160.3
[M+Na]+	299.05578	167.8
[M-H]-	275.05928	167.1
[M+NH4]+	294.10038	176.6
[M+K]+	315.02972	163.0
[M+H-H2O]+	259.06382	153.2
[M+HCOO]-	321.06476	181.8
[M+CH3COO]-	335.08041	201.4
[M+Na-2H]-	297.04123	165.9
[M]+	276.06601	162.5
[M]-	276.06711	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe