CID 3164932

1-methyl-1h-pyrazole-5-carbonyl chloride

Structural Information

Molecular Formula

C₅H₅ClN₂O

SMILES

CN1C(=CC=N1)C(=O)Cl

InChI

InChI=1S/C5H5ClN2O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3

InChIKey

JJMGMMBYVVRVHI-UHFFFAOYSA-N

Compound name

2-methylpyrazole-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 144.00903 Da
Monoisotopic Mass: 1.1
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]+	145.01631	124.6
[M+Na]+	166.99825	137.2
[M+NH4]+	162.04285	132.7
[M+K]+	182.97219	133.5
[M-H]-	143.00175	124.5
[M+Na-2H]-	164.98370	130.5
[M]+	144.00848	126.4
[M]-	144.00958	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe