CID 33781814

1-(difluoromethyl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula

C₄H₅F₂N₃

SMILES

C1=C(C=NN1C(F)F)N

InChI

InChI=1S/C4H5F2N3/c5-4(6)9-2-3(7)1-8-9/h1-2,4H,7H2

InChIKey

JYZVNUKJBUJJIK-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 133.04515 Da
Monoisotopic Mass: 0.4
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]+	134.05243	120.4
[M+Na]+	156.03437	129.7
[M-H]-	132.03787	118.8
[M+NH4]+	151.07897	140.9
[M+K]+	172.00831	128.4
[M+H-H2O]+	116.04241	111.8
[M+HCOO]-	178.04335	142.0
[M+CH3COO]-	192.05900	173.3
[M+Na-2H]-	154.01982	125.1
[M]+	133.04460	115.9
[M]-	133.04570	115.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe