CID 3041040

2-amino-4-chloro-6-ethylphenol

Structural Information

Molecular Formula

C₈H₁₀ClNO

SMILES

CCC1=C(C(=CC(=C1)Cl)N)O

InChI

InChI=1S/C8H10ClNO/c1-2-5-3-6(9)4-7(10)8(5)11/h3-4,11H,2,10H2,1H3

InChIKey

ZJCIKASBHYGEDG-UHFFFAOYSA-N

Compound name

2-amino-4-chloro-6-ethylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 171.04509 Da
Monoisotopic Mass: 2.3
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]+	172.05237	132.0
[M+Na]+	194.03431	145.6
[M+NH4]+	189.07891	141.1
[M+K]+	210.00825	139.0
[M-H]-	170.03781	134.7
[M+Na-2H]-	192.01976	138.8
[M]+	171.04454	135.0
[M]-	171.04564	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe