CID 643218

2-amino-4-(ethylsulfonyl)phenol

Structural Information

Molecular Formula

C₈H₁₁NO₃S

SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)N

InChI

InChI=1S/C8H11NO3S/c1-2-13(11,12)6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3

InChIKey

UPJVUFCLBYQKFH-UHFFFAOYSA-N

Compound name

2-amino-4-ethylsulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 397
Patents: 201.04596 Da
Monoisotopic Mass: 0.8
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]+	202.053236	139.7
[M+Na]+	224.035178	148.7
[M-H]-	200.038684	142.3
[M+NH4]+	219.079783	158.5
[M+K]+	240.009118	145.2
[M+H-H2O]+	184.043220	134.4
[M+HCOO]-	246.044161	157.5
[M+CH3COO]-	260.059811	181.0
[M+Na-2H]-	222.020626	143.4
[M]+	201.04541142	140.8
[M]-	201.04650858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe