CID 2114022

5-chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₃Cl₂NO

SMILES

CC1=CC(=CC(=C1OC2=C(C=C(C=C2)Cl)N)C)Cl

InChI

InChI=1S/C14H13Cl2NO/c1-8-5-11(16)6-9(2)14(8)18-13-4-3-10(15)7-12(13)17/h3-7H,17H2,1-2H3

InChIKey

XFQMQHXBYPNFFZ-UHFFFAOYSA-N

Compound name

5-chloro-2-(4-chloro-2,6-dimethylphenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.0374 Da
Monoisotopic Mass: 4.8
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]+	282.044676	160.5
[M+Na]+	304.026618	172.0
[M-H]-	280.030124	167.0
[M+NH4]+	299.071223	178.2
[M+K]+	320.000558	165.3
[M+H-H2O]+	264.034660	155.2
[M+HCOO]-	326.035601	175.7
[M+CH3COO]-	340.051251	202.2
[M+Na-2H]-	302.012066	162.9
[M]+	281.03685142	164.7
[M]-	281.03794858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.