CID 3352034

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

Structural Information

Molecular Formula
C15H12FN3
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C15H12FN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2
InChIKey
QCEVUBQDNVSIHB-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.10153 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10881 155.1
[M+Na]+ 276.09075 164.7
[M-H]- 252.09425 161.3
[M+NH4]+ 271.13535 170.7
[M+K]+ 292.06469 158.6
[M+H-H2O]+ 236.09879 144.9
[M+HCOO]- 298.09973 178.1
[M+CH3COO]- 312.11538 167.4
[M+Na-2H]- 274.07620 159.2
[M]+ 253.10098 152.4
[M]- 253.10208 152.4
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