CID 53415542

1-(3-bromophenyl)-5-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₉BrN₂

SMILES

CC1=CC=NN1C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H9BrN2/c1-8-5-6-12-13(8)10-4-2-3-9(11)7-10/h2-7H,1H3

InChIKey

SOKRUOCNOJWGDW-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)-5-methylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 235.9949 Da
Monoisotopic Mass: 3.0
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]+	237.00218	146.9
[M+Na]+	258.98412	151.9
[M+NH4]+	254.02872	152.2
[M+K]+	274.95806	152.1
[M-H]-	234.98762	148.6
[M+Na-2H]-	256.96957	152.2
[M]+	235.99435	147.0
[M]-	235.99545	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe