CID 122402997

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

Structural Information

Molecular Formula

C₄H₄BrFN₂

SMILES

C1=C(C=NN1CF)Br

InChI

InChI=1S/C4H4BrFN2/c5-4-1-7-8(2-4)3-6/h1-2H,3H2

InChIKey

FEXIMWVBOIJXJJ-UHFFFAOYSA-N

Compound name

4-bromo-1-(fluoromethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 177.9542 Da
Monoisotopic Mass: 1.3
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]+	178.96148	125.2
[M+Na]+	200.94342	139.0
[M-H]-	176.94692	128.3
[M+NH4]+	195.98802	148.3
[M+K]+	216.91736	129.1
[M+H-H2O]+	160.95146	124.3
[M+HCOO]-	222.95240	146.3
[M+CH3COO]-	236.96805	176.7
[M+Na-2H]-	198.92887	133.5
[M]+	177.95365	143.0
[M]-	177.95475	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe