CID 26986238

4-bromo-1-(4-fluorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H6BrFN2
SMILES
C1=CC(=CC=C1N2C=C(C=N2)Br)F
InChI
InChI=1S/C9H6BrFN2/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H
InChIKey
OAIFXEHOEQLJIP-UHFFFAOYSA-N
Compound name
4-bromo-1-(4-fluorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

239.96983 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97711 141.3
[M+Na]+ 262.95905 155.1
[M-H]- 238.96255 147.6
[M+NH4]+ 258.00365 162.1
[M+K]+ 278.93299 143.7
[M+H-H2O]+ 222.96709 139.7
[M+HCOO]- 284.96803 162.3
[M+CH3COO]- 298.98368 156.9
[M+Na-2H]- 260.94450 148.5
[M]+ 239.96928 159.1
[M]- 239.97038 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe