CID 170224

6-amino-2,4-dichloro-3-methylphenol

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

CC1=C(C=C(C(=C1Cl)O)N)Cl

InChI

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

InChIKey

QDOGSLSGLUTSQL-UHFFFAOYSA-N

Compound name

6-amino-2,4-dichloro-3-methylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 216
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]+	191.99774	134.4
[M+Na]+	213.97968	146.1
[M-H]-	189.98318	136.7
[M+NH4]+	209.02428	155.1
[M+K]+	229.95362	140.5
[M+H-H2O]+	173.98772	131.8
[M+HCOO]-	235.98866	149.0
[M+CH3COO]-	250.00431	182.2
[M+Na-2H]-	211.96513	138.2
[M]+	190.98991	135.8
[M]-	190.99101	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe