CID 125448985

3-(bromodifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C4H3BrF2N2
SMILES
C1=C(NN=C1)C(F)(F)Br
InChI
InChI=1S/C4H3BrF2N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)
InChIKey
FFTUQWMJMICUBW-UHFFFAOYSA-N
Compound name
5-[bromo(difluoro)methyl]-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.94476 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.95204 131.7
[M+Na]+ 218.93398 144.7
[M-H]- 194.93748 132.2
[M+NH4]+ 213.97858 153.2
[M+K]+ 234.90792 133.7
[M+H-H2O]+ 178.94202 130.4
[M+HCOO]- 240.94296 148.8
[M+CH3COO]- 254.95861 176.0
[M+Na-2H]- 216.91943 139.9
[M]+ 195.94421 145.7
[M]- 195.94531 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.