CID 57448378

1190927-28-6

Structural Information

Molecular Formula

C₆H₂ClFN₂S

SMILES

C1=C(C=NC2=C1SC(=N2)Cl)F

InChI

InChI=1S/C6H2ClFN2S/c7-6-10-5-4(11-6)1-3(8)2-9-5/h1-2H

InChIKey

OPBVPNQFSSSHHJ-UHFFFAOYSA-N

Compound name

2-chloro-6-fluoro-[1,3]thiazolo[4,5-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 187.96112 Da
Monoisotopic Mass: 2.7
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]+	188.96840	128.1
[M+Na]+	210.95034	142.6
[M-H]-	186.95384	130.3
[M+NH4]+	205.99494	150.3
[M+K]+	226.92428	137.7
[M+H-H2O]+	170.95838	122.1
[M+HCOO]-	232.95932	142.5
[M+CH3COO]-	246.97497	143.2
[M+Na-2H]-	208.93579	133.5
[M]+	187.96057	133.0
[M]-	187.96167	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe