CID 20273425

3,6-dichloro-2-methoxyaniline

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

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

InChI

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

InChIKey

DSTYKCDGDXOVOZ-UHFFFAOYSA-N

Compound name

3,6-dichloro-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 190.99046 Da
Monoisotopic Mass: 2.5
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]+	191.997736	134.2
[M+Na]+	213.979678	145.5
[M-H]-	189.983184	137.6
[M+NH4]+	209.024283	155.3
[M+K]+	229.953618	140.7
[M+H-H2O]+	173.987720	131.0
[M+HCOO]-	235.988661	150.3
[M+CH3COO]-	250.004311	183.5
[M+Na-2H]-	211.965126	139.3
[M]+	190.98991142	137.2
[M]-	190.99100858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe