CID 690813

10480-25-8

Structural Information

Molecular Formula

C₁₃H₉ClN₂O₂

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H9ClN2O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H

InChIKey

WVWIAWOOTNQWGY-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-1-(3-nitrophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 260.03525 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]+	261.042526	156.5
[M+Na]+	283.024468	164.2
[M-H]-	259.027974	164.4
[M+NH4]+	278.069073	173.4
[M+K]+	298.998408	155.5
[M+H-H2O]+	243.032510	154.0
[M+HCOO]-	305.033451	180.2
[M+CH3COO]-	319.049101	192.4
[M+Na-2H]-	281.009916	164.4
[M]+	260.03470142	157.5
[M]-	260.03579858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe