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	137.2
[M+Na]+	241.99702	150.1
[M-H]-	218.00052	136.3
[M+NH4]+	237.04162	156.7
[M+K]+	257.97096	145.4
[M+H-H2O]+	202.00506	128.8
[M+HCOO]-	264.00600	152.6
[M+CH3COO]-	278.02165	185.9
[M+Na-2H]-	239.98247	142.0
[M]+	219.00725	136.2
[M]-	219.00835	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe