CID 1478040

3-(4-bromophenyl)-1-(4-fluorophenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C15H11BrFN3
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)C3=CC=C(C=C3)F)Br
InChI
InChI=1S/C15H11BrFN3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKey
MSYLCFULVALFQN-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-(4-fluorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.01205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.01933 167.9
[M+Na]+ 354.00127 180.8
[M-H]- 330.00477 176.7
[M+NH4]+ 349.04587 184.4
[M+K]+ 369.97521 167.1
[M+H-H2O]+ 314.00931 164.6
[M+HCOO]- 376.01025 188.4
[M+CH3COO]- 390.02590 181.4
[M+Na-2H]- 351.98672 171.9
[M]+ 331.01150 184.3
[M]- 331.01260 184.3
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.