CID 125724931

1946813-55-3

Structural Information

Molecular Formula

C₆H₉F₂N₃

SMILES

CC1=NN(C(=C1N)C(F)F)C

InChI

InChI=1S/C6H9F2N3/c1-3-4(9)5(6(7)8)11(2)10-3/h6H,9H2,1-2H3

InChIKey

LYTLYWVFXOKGFU-UHFFFAOYSA-N

Compound name

5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.07645 Da
Monoisotopic Mass: 0.6
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]+	162.08373	129.6
[M+Na]+	184.06567	140.0
[M-H]-	160.06917	128.5
[M+NH4]+	179.11027	149.7
[M+K]+	200.03961	138.0
[M+H-H2O]+	144.07371	121.4
[M+HCOO]-	206.07465	150.6
[M+CH3COO]-	220.09030	181.6
[M+Na-2H]-	182.05112	131.9
[M]+	161.07590	126.6
[M]-	161.07700	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.