CID 88168658

Schembl7590381

Structural Information

Molecular Formula

C₁₅H₁₃ClN₂

SMILES

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

InChI

InChI=1S/C15H13ClN2/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-12,17H/b13-11+,18-12?

InChIKey

RUZFGJKXFPPZJN-OWISRODJSA-N

Compound name

N-[(E)-2-chloro-3-phenyliminoprop-1-enyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 256.07672 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]+	257.083996	158.3
[M+Na]+	279.065938	164.5
[M-H]-	255.069444	165.4
[M+NH4]+	274.110543	175.5
[M+K]+	295.039878	158.3
[M+H-H2O]+	239.073980	150.7
[M+HCOO]-	301.074921	180.6
[M+CH3COO]-	315.090571	199.0
[M+Na-2H]-	277.051386	165.1
[M]+	256.07617142	158.2
[M]-	256.07726858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe