CID 101086

59584-22-4

Structural Information

Molecular Formula

C₁₅H₁₂ClNO₂

SMILES

COC(=O)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H12ClNO2/c1-19-15(18)12-4-2-11(3-5-12)10-17-14-8-6-13(16)7-9-14/h2-10H,1H3

InChIKey

BYDHFMUKSVKDBK-UHFFFAOYSA-N

Compound name

methyl 4-[(4-chlorophenyl)iminomethyl]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 273.05566 Da
Monoisotopic Mass: 4.1
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]+	274.062936	159.7
[M+Na]+	296.044878	168.6
[M-H]-	272.048384	168.0
[M+NH4]+	291.089483	177.3
[M+K]+	312.018818	163.8
[M+H-H2O]+	256.052920	152.6
[M+HCOO]-	318.053861	181.6
[M+CH3COO]-	332.069511	200.4
[M+Na-2H]-	294.030326	164.9
[M]+	273.05511142	164.1
[M]-	273.05620858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe