CID 10220126

140911-31-5

Structural Information

Molecular Formula

C₆H₂ClF₃N₄

SMILES

C1=CN2C(=NN=C2C(F)(F)F)C(=N1)Cl

InChI

InChI=1S/C6H2ClF3N4/c7-3-4-12-13-5(6(8,9)10)14(4)2-1-11-3/h1-2H

InChIKey

MTJVSFDBHKNNPB-UHFFFAOYSA-N

Compound name

8-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 221.992 Da
Monoisotopic Mass: 2.0
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]+	222.99928	138.0
[M+Na]+	244.98122	149.3
[M+NH4]+	240.02582	143.3
[M+K]+	260.95516	146.1
[M-H]-	220.98472	133.3
[M+Na-2H]-	242.96667	142.9
[M]+	221.99145	138.2
[M]-	221.99255	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe