CID 125725094

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

Structural Information

Molecular Formula
C6H7BrF2N2
SMILES
CC1=NN(C(=C1Br)C(F)F)C
InChI
InChI=1S/C6H7BrF2N2/c1-3-4(7)5(6(8)9)11(2)10-3/h6H,1-2H3
InChIKey
QFEUGKWECWFOHD-UHFFFAOYSA-N
Compound name
4-bromo-5-(difluoromethyl)-1,3-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 137.5
[M+Na]+ 246.96529 152.0
[M-H]- 222.96879 139.8
[M+NH4]+ 242.00989 159.3
[M+K]+ 262.93923 141.4
[M+H-H2O]+ 206.97333 135.8
[M+HCOO]- 268.97427 156.0
[M+CH3COO]- 282.98992 187.8
[M+Na-2H]- 244.95074 141.6
[M]+ 223.97552 154.9
[M]- 223.97662 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.