CID 84656718

4-bromo-3-fluoro-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H4BrFN2
SMILES
CN1C=C(C(=N1)F)Br
InChI
InChI=1S/C4H4BrFN2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChIKey
ZZVJLGMTZXVPQV-UHFFFAOYSA-N
Compound name
4-bromo-3-fluoro-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

177.9542 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.96148 124.7
[M+Na]+ 200.94342 139.5
[M-H]- 176.94692 128.2
[M+NH4]+ 195.98802 148.2
[M+K]+ 216.91736 129.4
[M+H-H2O]+ 160.95146 124.0
[M+HCOO]- 222.95240 145.8
[M+CH3COO]- 236.96805 177.7
[M+Na-2H]- 198.92887 132.4
[M]+ 177.95365 142.8
[M]- 177.95475 142.8
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

patents stripe