CID 1284728

Refchem:825205

Structural Information

Molecular Formula

C₁₄H₁₂ClNO

SMILES

COC1=CC=C(C=C1)N=CC2=CC=CC=C2Cl

InChI

InChI=1S/C14H12ClNO/c1-17-13-8-6-12(7-9-13)16-10-11-4-2-3-5-14(11)15/h2-10H,1H3

InChIKey

LSBFMYAAXUQSLF-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-N-(4-methoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 245.06075 Da
Monoisotopic Mass: 3.8
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]+	246.068026	152.8
[M+Na]+	268.049968	162.1
[M-H]-	244.053474	161.0
[M+NH4]+	263.094573	171.6
[M+K]+	284.023908	157.1
[M+H-H2O]+	228.058010	145.8
[M+HCOO]-	290.058951	175.6
[M+CH3COO]-	304.074601	196.0
[M+Na-2H]-	266.035416	159.7
[M]+	245.06020142	156.7
[M]-	245.06129858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe