CID 138756287

4-bromo-1-(2,2-difluoropropyl)-1h-pyrazole

Structural Information

Molecular Formula

C₆H₇BrF₂N₂

SMILES

CC(CN1C=C(C=N1)Br)(F)F

InChI

InChI=1S/C6H7BrF2N2/c1-6(8,9)4-11-3-5(7)2-10-11/h2-3H,4H2,1H3

InChIKey

QRGOFWRHYGABGH-UHFFFAOYSA-N

Compound name

4-bromo-1-(2,2-difluoropropyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 223.97607 Da
Monoisotopic Mass: 1.9
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]+	224.98335	150.0
[M+Na]+	246.96529	150.9
[M+NH4]+	242.00989	153.0
[M+K]+	262.93923	152.6
[M-H]-	222.96879	146.1
[M+Na-2H]-	244.95074	150.8
[M]+	223.97552	147.7
[M]-	223.97662	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe