CID 5233527

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

Structural Information

Molecular Formula
C15H11ClFN3
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C15H11ClFN3/c16-11-3-7-13(8-4-11)20-15(18)9-14(19-20)10-1-5-12(17)6-2-10/h1-9H,18H2
InChIKey
BREFARZBMCPRCN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.06256 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06984 163.1
[M+Na]+ 310.05178 174.2
[M-H]- 286.05528 169.2
[M+NH4]+ 305.09638 178.3
[M+K]+ 326.02572 166.5
[M+H-H2O]+ 270.05982 153.1
[M+HCOO]- 332.06076 181.2
[M+CH3COO]- 346.07641 175.1
[M+Na-2H]- 308.03723 165.6
[M]+ 287.06201 162.9
[M]- 287.06311 162.9
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.