CID 137951593

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

Structural Information

Molecular Formula
C6H5BrF2N2
SMILES
C1C(C1(F)F)N2C=C(C=N2)Br
InChI
InChI=1S/C6H5BrF2N2/c7-4-2-10-11(3-4)5-1-6(5,8)9/h2-3,5H,1H2
InChIKey
LQGZSBKEMJDIKV-UHFFFAOYSA-N
Compound name
4-bromo-1-(2,2-difluorocyclopropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.96042 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96770 144.1
[M+Na]+ 244.94964 147.1
[M+NH4]+ 239.99424 149.4
[M+K]+ 260.92358 148.3
[M-H]- 220.95314 147.7
[M+Na-2H]- 242.93509 149.4
[M]+ 221.95987 145.3
[M]- 221.96097 145.3
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.