CID 151231044

2484774-19-6

Structural Information

Molecular Formula

C₅H₆ClF₂N₃

SMILES

CN1C(=C(C(=N1)C(F)F)Cl)N

InChI

InChI=1S/C5H6ClF2N3/c1-11-5(9)2(6)3(10-11)4(7)8/h4H,9H2,1H3

InChIKey

NOHJETOKAFGSFE-UHFFFAOYSA-N

Compound name

4-chloro-5-(difluoromethyl)-2-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.02184 Da
Monoisotopic Mass: 1.2
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]+	182.02912	130.7
[M+Na]+	204.01106	142.2
[M-H]-	180.01456	129.4
[M+NH4]+	199.05566	150.7
[M+K]+	219.98500	138.5
[M+H-H2O]+	164.01910	123.1
[M+HCOO]-	226.02004	147.3
[M+CH3COO]-	240.03569	182.4
[M+Na-2H]-	201.99651	133.0
[M]+	181.02129	129.1
[M]-	181.02239	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe