CID 66201333

37148-87-1

Structural Information

Molecular Formula

C₁₀H₈F₃N₃

SMILES

C1=CC(=CC=C1C2=CN=C(N2)N)C(F)(F)F

InChI

InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-9(14)16-8/h1-5H,(H3,14,15,16)

InChIKey

STVYQXZARQXMCD-UHFFFAOYSA-N

Compound name

5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.06703 Da
Monoisotopic Mass: 2.3
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]+	228.07431	144.4
[M+Na]+	250.05625	154.0
[M-H]-	226.05975	143.6
[M+NH4]+	245.10085	160.6
[M+K]+	266.03019	148.6
[M+H-H2O]+	210.06429	134.5
[M+HCOO]-	272.06523	162.4
[M+CH3COO]-	286.08088	187.1
[M+Na-2H]-	248.04170	148.6
[M]+	227.06648	137.2
[M]-	227.06758	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe