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 137.7
[M+Na]+ 244.94964 153.9
[M-H]- 220.95314 143.7
[M+NH4]+ 239.99424 156.4
[M+K]+ 260.92358 142.5
[M+H-H2O]+ 204.95768 136.1
[M+HCOO]- 266.95862 157.3
[M+CH3COO]- 280.97427 187.2
[M+Na-2H]- 242.93509 144.6
[M]+ 221.95987 156.1
[M]- 221.96097 156.1
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.