CID 3749228

345-07-3

Structural Information

Molecular Formula

C₁₁H₁₀F₃N₃

SMILES

CC1=NN(C(=C1)N)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C11H10F3N3/c1-7-5-10(15)17(16-7)9-4-2-3-8(6-9)11(12,13)14/h2-6H,15H2,1H3

InChIKey

DAAKMPQKHLKAHN-UHFFFAOYSA-N

Compound name

5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 241.08269 Da
Monoisotopic Mass: 2.8
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]+	242.08997	149.2
[M+Na]+	264.07191	159.7
[M-H]-	240.07541	150.0
[M+NH4]+	259.11651	165.9
[M+K]+	280.04585	155.0
[M+H-H2O]+	224.07995	139.1
[M+HCOO]-	286.08089	168.4
[M+CH3COO]-	300.09654	193.8
[M+Na-2H]-	262.05736	152.6
[M]+	241.08214	144.6
[M]-	241.08324	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe