CID 3459102

1,3-bis(4-fluorophenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C15H11F2N3
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C15H11F2N3/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
NPUXAMBGXDZITB-UHFFFAOYSA-N
Compound name
2,5-bis(4-fluorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.0921 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09938 158.3
[M+Na]+ 294.08132 168.9
[M-H]- 270.08482 163.6
[M+NH4]+ 289.12592 173.4
[M+K]+ 310.05526 162.3
[M+H-H2O]+ 254.08936 147.3
[M+HCOO]- 316.09030 180.2
[M+CH3COO]- 330.10595 170.4
[M+Na-2H]- 292.06677 161.0
[M]+ 271.09155 155.0
[M]- 271.09265 155.0
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