CID 22743074

2-chloro-3,5-dimethoxyaniline

Structural Information

Molecular Formula

C₈H₁₀ClNO₂

SMILES

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

InChI

InChI=1S/C8H10ClNO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,10H2,1-2H3

InChIKey

QAQJMSZWWPFNJB-UHFFFAOYSA-N

Compound name

2-chloro-3,5-dimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 187.04001 Da
Monoisotopic Mass: 1.8
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]+	188.04729	134.6
[M+Na]+	210.02923	148.2
[M+NH4]+	205.07383	143.4
[M+K]+	226.00317	141.8
[M-H]-	186.03273	137.3
[M+Na-2H]-	208.01468	141.4
[M]+	187.03946	137.5
[M]-	187.04056	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe