CID 43184846

(5-chloro-2-methoxyphenyl)(4-chlorophenyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₃Cl₂NO

SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C14H13Cl2NO/c1-18-13-7-6-11(16)8-12(13)14(17)9-2-4-10(15)5-3-9/h2-8,14H,17H2,1H3

InChIKey

LHSLUYCWMCZCTQ-UHFFFAOYSA-N

Compound name

(5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.0374 Da
Monoisotopic Mass: 3.7
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]+	282.044676	160.2
[M+Na]+	304.026618	169.7
[M-H]-	280.030124	166.1
[M+NH4]+	299.071223	177.3
[M+K]+	320.000558	163.3
[M+H-H2O]+	264.034660	154.7
[M+HCOO]-	326.035601	174.6
[M+CH3COO]-	340.051251	200.7
[M+Na-2H]-	302.012066	163.0
[M]+	281.03685142	163.2
[M]-	281.03794858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.