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

26
Patents

209.96042 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.967696 134.0
[M+Na]+ 232.949638 147.1
[M-H]- 208.953144 135.7
[M+NH4]+ 227.994243 155.7
[M+K]+ 248.923578 136.9
[M+H-H2O]+ 192.957680 131.9
[M+HCOO]- 254.958621 152.8
[M+CH3COO]- 268.974271 182.8
[M+Na-2H]- 230.935086 139.9
[M]+ 209.95987142 150.4
[M]- 209.96096858 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