CID 79782466

4-chloro-3-iodo-1-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₄H₄ClIN₂

SMILES

CN1C=C(C(=N1)I)Cl

InChI

InChI=1S/C4H4ClIN2/c1-8-2-3(5)4(6)7-8/h2H,1H3

InChIKey

CRIXGBBCBWNMDI-UHFFFAOYSA-N

Compound name

4-chloro-3-iodo-1-methylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.91077 Da
Monoisotopic Mass: 1.5
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]+	242.91805	126.6
[M+Na]+	264.89999	132.6
[M+NH4]+	259.94459	131.2
[M+K]+	280.87393	131.4
[M-H]-	240.90349	121.3
[M+Na-2H]-	262.88544	120.9
[M]+	241.91022	125.1
[M]-	241.91132	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.