CID 12652211

2-(aminomethyl)-4,6-dichlorophenol hydrochloride

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

C1=C(C=C(C(=C1CN)O)Cl)Cl

InChI

InChI=1S/C7H7Cl2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H,3,10H2

InChIKey

JTVDZUWMDWGQSB-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-4,6-dichlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 190.99046 Da
Monoisotopic Mass: 2.0
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	133.5
[M+Na]+	213.97968	147.7
[M+NH4]+	209.02428	142.8
[M+K]+	229.95362	140.7
[M-H]-	189.98318	136.0
[M+Na-2H]-	211.96513	140.5
[M]+	190.98991	136.8
[M]-	190.99101	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe