CID 67566619

4-[4-(trifluoromethyl)phenyl]-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₇F₃N₂

SMILES

C1=CC(=CC=C1C2=CNN=C2)C(F)(F)F

InChI

InChI=1S/C10H7F3N2/c11-10(12,13)9-3-1-7(2-4-9)8-5-14-15-6-8/h1-6H,(H,14,15)

InChIKey

UNXSFMWWHHIALZ-UHFFFAOYSA-N

Compound name

4-[4-(trifluoromethyl)phenyl]-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.05614 Da
Monoisotopic Mass: 2.7
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]+	213.06342	140.4
[M+Na]+	235.04536	149.9
[M-H]-	211.04886	139.7
[M+NH4]+	230.08996	157.4
[M+K]+	251.01930	145.0
[M+H-H2O]+	195.05340	130.5
[M+HCOO]-	257.05434	158.0
[M+CH3COO]-	271.06999	181.7
[M+Na-2H]-	233.03081	145.8
[M]+	212.05559	134.5
[M]-	212.05669	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe