CID 125454101

3-(bromodifluoromethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H5BrF2N2
SMILES
CN1C=CC(=N1)C(F)(F)Br
InChI
InChI=1S/C5H5BrF2N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3
InChIKey
RMFNCXQJNQULBS-UHFFFAOYSA-N
Compound name
3-[bromo(difluoro)methyl]-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.96042 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96770 135.0
[M+Na]+ 232.94964 148.9
[M-H]- 208.95314 137.0
[M+NH4]+ 227.99424 157.0
[M+K]+ 248.92358 138.5
[M+H-H2O]+ 192.95768 133.6
[M+HCOO]- 254.95862 153.2
[M+CH3COO]- 268.97427 182.4
[M+Na-2H]- 230.93509 142.6
[M]+ 209.95987 151.5
[M]- 209.96097 151.5
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.