CID 85752610

Ns00117016

Structural Information

Molecular Formula

C₈H₅F₃N₂O₂S

SMILES

C1=C(C=C2C(=C1O)N=C(S2)N)OC(F)(F)F

InChI

InChI=1S/C8H5F3N2O2S/c9-8(10,11)15-3-1-4(14)6-5(2-3)16-7(12)13-6/h1-2,14H,(H2,12,13)

InChIKey

GXFFABIWILZVMT-UHFFFAOYSA-N

Compound name

2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.00238 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]+	251.009656	144.1
[M+Na]+	272.991598	156.4
[M-H]-	248.995104	143.2
[M+NH4]+	268.036203	162.9
[M+K]+	288.965538	151.9
[M+H-H2O]+	232.999640	136.5
[M+HCOO]-	295.000581	159.2
[M+CH3COO]-	309.016231	189.0
[M+Na-2H]-	270.977046	147.8
[M]+	250.00183142	144.3
[M]-	250.00292858	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.