CID 21860914

99520-99-7

Structural Information

Molecular Formula

C₇H₂ClF₃N₂S

SMILES

C1=C(C=NC2=C1N=C(S2)Cl)C(F)(F)F

InChI

InChI=1S/C7H2ClF3N2S/c8-6-13-4-1-3(7(9,10)11)2-12-5(4)14-6/h1-2H

InChIKey

DPKUZYAKAXXUFN-UHFFFAOYSA-N

Compound name

2-chloro-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.95793 Da
Monoisotopic Mass: 3.5
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]+	238.96521	138.7
[M+Na]+	260.94715	153.1
[M-H]-	236.95065	138.2
[M+NH4]+	255.99175	158.8
[M+K]+	276.92109	147.4
[M+H-H2O]+	220.95519	131.0
[M+HCOO]-	282.95613	149.0
[M+CH3COO]-	296.97178	152.2
[M+Na-2H]-	258.93260	143.2
[M]+	237.95738	141.2
[M]-	237.95848	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe