CID 2735773

5-chloro-1-methyl-1h-pyrazole-4-carbonyl chloride

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O

SMILES

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

InChI

InChI=1S/C5H4Cl2N2O/c1-9-4(6)3(2-8-9)5(7)10/h2H,1H3

InChIKey

XFDCYGXUXLYMNP-UHFFFAOYSA-N

Compound name

5-chloro-1-methylpyrazole-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 177.97006 Da
Monoisotopic Mass: 1.7
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]+	178.97734	130.0
[M+Na]+	200.95928	143.5
[M+NH4]+	196.00388	138.2
[M+K]+	216.93322	139.2
[M-H]-	176.96278	129.9
[M+Na-2H]-	198.94473	135.7
[M]+	177.96951	132.3
[M]-	177.97061	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe