CID 19590612

916213-68-8

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

C1=C(C=C(C(=C1Cl)O)Cl)CN

InChI

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

InChIKey

YNFMNTQVKRYSAD-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-2,6-dichlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 190.99046 Da
Monoisotopic Mass: 1.7
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	134.6
[M+Na]+	213.979678	145.4
[M-H]-	189.983184	136.6
[M+NH4]+	209.024283	155.0
[M+K]+	229.953618	139.8
[M+H-H2O]+	173.987720	131.7
[M+HCOO]-	235.988661	149.2
[M+CH3COO]-	250.004311	181.0
[M+Na-2H]-	211.965126	139.2
[M]+	190.98991142	135.7
[M]-	190.99100858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe