CID 83382775

5-bromo-4-chloro-1-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₄H₄BrClN₂

SMILES

CN1C(=C(C=N1)Cl)Br

InChI

InChI=1S/C4H4BrClN2/c1-8-4(5)3(6)2-7-8/h2H,1H3

InChIKey

HXANFFNOZDWOAR-UHFFFAOYSA-N

Compound name

5-bromo-4-chloro-1-methylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.92464 Da
Monoisotopic Mass: 1.9
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]+	194.93192	126.6
[M+Na]+	216.91386	142.2
[M-H]-	192.91736	131.1
[M+NH4]+	211.95846	150.3
[M+K]+	232.88780	130.6
[M+H-H2O]+	176.92190	127.2
[M+HCOO]-	238.92284	144.1
[M+CH3COO]-	252.93849	178.8
[M+Na-2H]-	214.89931	134.5
[M]+	193.92409	147.3
[M]-	193.92519	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.