CID 12747525

1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₆H₇F₃N₂

SMILES

CC1=CC(=NN1C)C(F)(F)F

InChI

InChI=1S/C6H7F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h3H,1-2H3

InChIKey

LGTRXZPAYGKNLP-UHFFFAOYSA-N

Compound name

1,5-dimethyl-3-(trifluoromethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 342
Patents: 164.05614 Da
Monoisotopic Mass: 1.6
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]+	165.06342	137.2
[M+Na]+	187.04536	146.0
[M+NH4]+	182.08996	142.6
[M+K]+	203.01930	143.0
[M-H]-	163.04886	132.8
[M+Na-2H]-	185.03081	140.3
[M]+	164.05559	136.8
[M]-	164.05669	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe