CID 59403642

3-(chlorodifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₄H₃ClF₂N₂

SMILES

C1=C(NN=C1)C(F)(F)Cl

InChI

InChI=1S/C4H3ClF2N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)

InChIKey

UYONVNILTRSPEC-UHFFFAOYSA-N

Compound name

5-[chloro(difluoro)methyl]-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 151.99529 Da
Monoisotopic Mass: 1.4
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]+	153.00257	123.0
[M+Na]+	174.98451	133.1
[M-H]-	150.98801	120.1
[M+NH4]+	170.02911	143.2
[M+K]+	190.95845	129.3
[M+H-H2O]+	134.99255	115.7
[M+HCOO]-	196.99349	137.3
[M+CH3COO]-	211.00914	168.8
[M+Na-2H]-	172.96996	129.9
[M]+	151.99474	119.7
[M]-	151.99584	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe