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	133.1
[M+Na]+	213.97968	147.9
[M+NH4]+	209.02428	142.7
[M+K]+	229.95362	140.5
[M-H]-	189.98318	136.1
[M+Na-2H]-	211.96513	140.6
[M]+	190.98991	136.7
[M]-	190.99101	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe