CID 53484477

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

Structural Information

Molecular Formula
C5H5BrF2N2
SMILES
C1=C(C=NN1CC(F)F)Br
InChI
InChI=1S/C5H5BrF2N2/c6-4-1-9-10(2-4)3-5(7)8/h1-2,5H,3H2
InChIKey
NEZQCHLMQBJZIM-UHFFFAOYSA-N
Compound name
4-bromo-1-(2,2-difluoroethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

209.96042 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96770 134.0
[M+Na]+ 232.94964 147.1
[M-H]- 208.95314 135.7
[M+NH4]+ 227.99424 155.7
[M+K]+ 248.92358 136.9
[M+H-H2O]+ 192.95768 131.9
[M+HCOO]- 254.95862 152.8
[M+CH3COO]- 268.97427 182.8
[M+Na-2H]- 230.93509 139.9
[M]+ 209.95987 150.4
[M]- 209.96097 150.4
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

patents stripe