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]+ 224.983346 137.5
[M+Na]+ 246.965288 152.0
[M-H]- 222.968794 139.8
[M+NH4]+ 242.009893 159.3
[M+K]+ 262.939228 141.4
[M+H-H2O]+ 206.973330 135.8
[M+HCOO]- 268.974271 156.0
[M+CH3COO]- 282.989921 187.8
[M+Na-2H]- 244.950736 141.6
[M]+ 223.97552142 154.9
[M]- 223.97661858 154.9
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.