CID 71833020

4-bromo-5-fluoro-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C5H6BrFN2
SMILES
CC1=NN(C(=C1Br)F)C
InChI
InChI=1S/C5H6BrFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKey
FQVSCBJYJWWQNS-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

191.96983 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.97711 128.8
[M+Na]+ 214.95905 144.0
[M-H]- 190.96255 132.5
[M+NH4]+ 210.00365 152.0
[M+K]+ 230.93299 133.7
[M+H-H2O]+ 174.96709 128.2
[M+HCOO]- 236.96803 149.5
[M+CH3COO]- 250.98368 181.6
[M+Na-2H]- 212.94450 135.3
[M]+ 191.96928 147.6
[M]- 191.97038 147.6
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

patents stripe