CID 22031306

474706-36-0

Structural Information

Molecular Formula
C9H6BrFN2
SMILES
C1=CC(=CC=C1C2=C(C=NN2)Br)F
InChI
InChI=1S/C9H6BrFN2/c10-8-5-12-13-9(8)6-1-3-7(11)4-2-6/h1-5H,(H,12,13)
InChIKey
AZTCXPPINUUHIJ-UHFFFAOYSA-N
Compound name
4-bromo-5-(4-fluorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 142.2
[M+Na]+ 262.95905 155.5
[M-H]- 238.96255 147.1
[M+NH4]+ 258.00365 162.2
[M+K]+ 278.93299 143.2
[M+H-H2O]+ 222.96709 140.8
[M+HCOO]- 284.96803 161.8
[M+CH3COO]- 298.98368 157.0
[M+Na-2H]- 260.94450 148.9
[M]+ 239.96928 158.2
[M]- 239.97038 158.2
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