CID 125724599

4-bromo-3-(difluoromethyl)-1,5-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C6H7BrF2N2
SMILES
CC1=C(C(=NN1C)C(F)F)Br
InChI
InChI=1S/C6H7BrF2N2/c1-3-4(7)5(6(8)9)10-11(3)2/h6H,1-2H3
InChIKey
CJIMREIMAYIRMX-UHFFFAOYSA-N
Compound name
4-bromo-3-(difluoromethyl)-1,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.97607 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.98335 149.0
[M+Na]+ 246.96529 150.5
[M+NH4]+ 242.00989 152.0
[M+K]+ 262.93923 152.2
[M-H]- 222.96879 145.5
[M+Na-2H]- 244.95074 149.2
[M]+ 223.97552 146.8
[M]- 223.97662 146.8
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.