CID 6786016

4-chloro-n'-(2-furylmethylene)benzohydrazide

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C12H9ClN2O2/c13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11/h1-8H,(H,15,16)/b14-8+

InChIKey

UNVOTDGPNAVDAJ-RIYZIHGNSA-N

Compound name

4-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 248.03525 Da
Monoisotopic Mass: 2.9
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]+	249.04253	154.9
[M+Na]+	271.02447	163.1
[M-H]-	247.02797	163.8
[M+NH4]+	266.06907	173.3
[M+K]+	286.99841	159.9
[M+H-H2O]+	231.03251	148.1
[M+HCOO]-	293.03345	178.5
[M+CH3COO]-	307.04910	195.1
[M+Na-2H]-	269.00992	160.9
[M]+	248.03470	158.3
[M]-	248.03580	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe