CID 2782520

3-(difluoromethyl)-5-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₅H₆F₂N₂

SMILES

CC1=CC(=NN1)C(F)F

InChI

InChI=1S/C5H6F2N2/c1-3-2-4(5(6)7)9-8-3/h2,5H,1H3,(H,8,9)

InChIKey

QPGWGHWOAIFIPR-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)-5-methyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 132.04991 Da
Monoisotopic Mass: 1.3
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]+	133.057186	121.4
[M+Na]+	155.039128	130.8
[M-H]-	131.042634	118.8
[M+NH4]+	150.083733	141.9
[M+K]+	171.013068	128.7
[M+H-H2O]+	115.047170	113.4
[M+HCOO]-	177.048111	140.8
[M+CH3COO]-	191.063761	169.6
[M+Na-2H]-	153.024576	125.8
[M]+	132.04936142	117.1
[M]-	132.05045858	117.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe