CID 76850447

1266118-94-8

Structural Information

Molecular Formula

C₇H₄F₃N₃S

SMILES

C1=C2C(=CN=C1C(F)(F)F)N=C(S2)N

InChI

InChI=1S/C7H4F3N3S/c8-7(9,10)5-1-4-3(2-12-5)13-6(11)14-4/h1-2H,(H2,11,13)

InChIKey

NGENSIZADFVCDM-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-[1,3]thiazolo[4,5-c]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 219.0078 Da
Monoisotopic Mass: 1.9
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]+	220.01508	139.9
[M+Na]+	241.99702	149.2
[M+NH4]+	237.04162	146.2
[M+K]+	257.97096	144.5
[M-H]-	218.00052	137.1
[M+Na-2H]-	239.98247	144.0
[M]+	219.00725	140.6
[M]-	219.00835	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe