CID 37818470

4-(4-bromophenyl)-3-methyl-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₉BrN₂

SMILES

CC1=C(C=NN1)C2=CC=C(C=C2)Br

InChI

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

InChIKey

YHAHQHWOMTWBPW-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-5-methyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 235.9949 Da
Monoisotopic Mass: 2.9
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]+	237.00218	147.9
[M+Na]+	258.98412	152.5
[M+NH4]+	254.02872	152.9
[M+K]+	274.95806	152.9
[M-H]-	234.98762	149.2
[M+Na-2H]-	256.96957	152.7
[M]+	235.99435	147.8
[M]-	235.99545	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe