CID 64120426

4-bromo-1-(1-phenylethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂

SMILES

CC(C1=CC=CC=C1)N2C=C(C=N2)Br

InChI

InChI=1S/C11H11BrN2/c1-9(10-5-3-2-4-6-10)14-8-11(12)7-13-14/h2-9H,1H3

InChIKey

LFCSPMPEKQNHCZ-UHFFFAOYSA-N

Compound name

4-bromo-1-(1-phenylethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 250.01056 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]+	251.01784	150.3
[M+Na]+	272.99978	154.6
[M+NH4]+	268.04438	155.4
[M+K]+	288.97372	155.1
[M-H]-	249.00328	151.8
[M+Na-2H]-	270.98523	155.4
[M]+	250.01001	150.2
[M]-	250.01111	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe