CID 67335834

1206640-61-0

Structural Information

Molecular Formula

C₇H₄ClF₃N₄

SMILES

C1=C(C2=NC(=NN2C=C1C(F)(F)F)N)Cl

InChI

InChI=1S/C7H4ClF3N4/c8-4-1-3(7(9,10)11)2-15-5(4)13-6(12)14-15/h1-2H,(H2,12,14)

InChIKey

LLAPLJGOFXCNFY-UHFFFAOYSA-N

Compound name

8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 236.00766 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]+	237.01494	140.4
[M+Na]+	258.99688	150.8
[M+NH4]+	254.04148	145.8
[M+K]+	274.97082	147.9
[M-H]-	235.00038	136.6
[M+Na-2H]-	256.98233	144.8
[M]+	236.00711	140.7
[M]-	236.00821	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe