CID 94659

2,3,5,6-tetrachloroanisidine

Structural Information

Molecular Formula

C₇H₅Cl₄NO

SMILES

COC1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl

InChI

InChI=1S/C7H5Cl4NO/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h12H2,1H3

InChIKey

MBYRIGCRDZOZTI-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrachloro-4-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 258.91254 Da
Monoisotopic Mass: 4.4
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]+	259.919816	147.9
[M+Na]+	281.901758	159.8
[M-H]-	257.905264	148.7
[M+NH4]+	276.946363	165.9
[M+K]+	297.875698	154.0
[M+H-H2O]+	241.909800	146.2
[M+HCOO]-	303.910741	152.6
[M+CH3COO]-	317.926391	197.2
[M+Na-2H]-	279.887206	148.9
[M]+	258.91199142	150.3
[M]-	258.91308858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe