CID 84651998

5-bromo-3-fluoro-1h-pyrazole

Structural Information

Molecular Formula

C₃H₂BrFN₂

SMILES

C1=C(NN=C1Br)F

InChI

InChI=1S/C3H2BrFN2/c4-2-1-3(5)7-6-2/h1H,(H,6,7)

InChIKey

ZRYNOQHTHOSQBD-UHFFFAOYSA-N

Compound name

3-bromo-5-fluoro-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.93854 Da
Monoisotopic Mass: 1.7
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]+	164.94582	121.7
[M+Na]+	186.92776	135.5
[M-H]-	162.93126	123.6
[M+NH4]+	181.97236	144.7
[M+K]+	202.90170	124.9
[M+H-H2O]+	146.93580	121.1
[M+HCOO]-	208.93674	141.6
[M+CH3COO]-	222.95239	171.3
[M+Na-2H]-	184.91321	130.0
[M]+	163.93799	137.3
[M]-	163.93909	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe