CID 3076265

130598-74-2

Structural Information

Molecular Formula

C₁₂H₈F₃N₃

SMILES

C1=CC(=CC=C1C2=CC3=NC=CN3N2)C(F)(F)F

InChI

InChI=1S/C12H8F3N3/c13-12(14,15)9-3-1-8(2-4-9)10-7-11-16-5-6-18(11)17-10/h1-7,17H

InChIKey

MNANRWVLRNZDIR-UHFFFAOYSA-N

Compound name

6-[4-(trifluoromethyl)phenyl]-5H-imidazo[1,2-b]pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 251.06703 Da
Monoisotopic Mass: 3.2
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]+	252.07431	152.4
[M+Na]+	274.05625	162.8
[M+NH4]+	269.10085	158.0
[M+K]+	290.03019	160.6
[M-H]-	250.05975	149.7
[M+Na-2H]-	272.04170	157.8
[M]+	251.06648	152.8
[M]-	251.06758	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe