CID 23023105

228401-48-7

Structural Information

Molecular Formula

C₇H₆F₃NOS

SMILES

C1=CC(=C(C=C1SC(F)(F)F)N)O

InChI

InChI=1S/C7H6F3NOS/c8-7(9,10)13-4-1-2-6(12)5(11)3-4/h1-3,12H,11H2

InChIKey

DJYRPQFDXPTWKU-UHFFFAOYSA-N

Compound name

2-amino-4-(trifluoromethylsulfanyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 288
Patents: 209.01222 Da
Monoisotopic Mass: 2.9
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]+	210.01950	136.1
[M+Na]+	232.00144	145.4
[M-H]-	208.00494	134.6
[M+NH4]+	227.04604	154.5
[M+K]+	247.97538	141.0
[M+H-H2O]+	192.00948	128.4
[M+HCOO]-	254.01042	150.2
[M+CH3COO]-	268.02607	182.9
[M+Na-2H]-	229.98689	138.5
[M]+	209.01167	131.8
[M]-	209.01277	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe