CID 137943275

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

Structural Information

Molecular Formula
C6H5BrF2N2
SMILES
C1C(C1(F)F)N2C=CC(=N2)Br
InChI
InChI=1S/C6H5BrF2N2/c7-5-1-2-11(10-5)4-3-6(4,8)9/h1-2,4H,3H2
InChIKey
QSRNKLKKJHRLFM-UHFFFAOYSA-N
Compound name
3-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.967696 137.7
[M+Na]+ 244.949638 153.9
[M-H]- 220.953144 143.7
[M+NH4]+ 239.994243 156.4
[M+K]+ 260.923578 142.5
[M+H-H2O]+ 204.957680 136.1
[M+HCOO]- 266.958621 157.3
[M+CH3COO]- 280.974271 187.2
[M+Na-2H]- 242.935086 144.6
[M]+ 221.95987142 156.1
[M]- 221.96096858 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.