CID 564883

1-(phenylhydrazone)oxaniloyl chloride

Structural Information

Molecular Formula

C₁₄H₁₂ClN₃O

SMILES

C1=CC=C(C=C1)NC(=O)C(=NNC2=CC=CC=C2)Cl

InChI

InChI=1S/C14H12ClN3O/c15-13(18-17-12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10,17H,(H,16,19)

InChIKey

PUKSXDOBWDDAGI-UHFFFAOYSA-N

Compound name

2-anilino-2-oxo-N-phenylethanehydrazonoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.0669 Da
Monoisotopic Mass: 4.7
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]+	274.074176	160.7
[M+Na]+	296.056118	166.0
[M-H]-	272.059624	168.1
[M+NH4]+	291.100723	176.7
[M+K]+	312.030058	161.3
[M+H-H2O]+	256.064160	152.8
[M+HCOO]-	318.065101	183.7
[M+CH3COO]-	332.080751	203.9
[M+Na-2H]-	294.041566	167.3
[M]+	273.06635142	160.5
[M]-	273.06744858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.