CID 6453986

4,5-dichloro-2-methoxyaniline

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

COC1=CC(=C(C=C1N)Cl)Cl

InChI

InChI=1S/C7H7Cl2NO/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,10H2,1H3

InChIKey

OMUPQCXITFAUCB-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 190.99046 Da
Monoisotopic Mass: 2.9
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]+	191.99774	134.2
[M+Na]+	213.97968	145.5
[M-H]-	189.98318	137.6
[M+NH4]+	209.02428	155.3
[M+K]+	229.95362	140.7
[M+H-H2O]+	173.98772	131.0
[M+HCOO]-	235.98866	150.3
[M+CH3COO]-	250.00431	183.5
[M+Na-2H]-	211.96513	139.3
[M]+	190.98991	137.2
[M]-	190.99101	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe