CID 780574

Stk057653

Structural Information

Molecular Formula

C₁₅H₁₄ClNO

SMILES

CC1=C(C=CC=C1Cl)N=CC2=CC=C(C=C2)OC

InChI

InChI=1S/C15H14ClNO/c1-11-14(16)4-3-5-15(11)17-10-12-6-8-13(18-2)9-7-12/h3-10H,1-2H3

InChIKey

VZXYUKHHAOELFM-UHFFFAOYSA-N

Compound name

N-(3-chloro-2-methylphenyl)-1-(4-methoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.0764 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]+	260.083676	157.3
[M+Na]+	282.065618	167.0
[M-H]-	258.069124	165.7
[M+NH4]+	277.110223	175.8
[M+K]+	298.039558	161.8
[M+H-H2O]+	242.073660	150.3
[M+HCOO]-	304.074601	179.7
[M+CH3COO]-	318.090251	200.1
[M+Na-2H]-	280.051066	162.9
[M]+	259.07585142	161.9
[M]-	259.07694858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.