CID 9578383

2989-41-5

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂

SMILES

C1=CC=C(C=C1)/C=N/NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H11ClN2/c14-12-7-4-8-13(9-12)16-15-10-11-5-2-1-3-6-11/h1-10,16H/b15-10+

InChIKey

GZZYOYAUOJLPOX-XNTDXEJSSA-N

Compound name

N-[(E)-benzylideneamino]-3-chloroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 230.06108 Da
Monoisotopic Mass: 4.2
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]+	231.06836	149.3
[M+Na]+	253.05030	157.3
[M-H]-	229.05380	157.1
[M+NH4]+	248.09490	168.1
[M+K]+	269.02424	151.8
[M+H-H2O]+	213.05834	142.2
[M+HCOO]-	275.05928	173.2
[M+CH3COO]-	289.07493	194.7
[M+Na-2H]-	251.03575	157.8
[M]+	230.06053	150.4
[M]-	230.06163	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe