CID 201772

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

Structural Information

Molecular Formula
C9H8FN3
SMILES
C1=CC(=CC=C1C2=C(NN=C2)N)F
InChI
InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKey
SIXWIUJQBBANGK-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

8117
Patents

177.07022 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07750 133.9
[M+Na]+ 200.05944 143.4
[M-H]- 176.06294 135.6
[M+NH4]+ 195.10404 152.1
[M+K]+ 216.03338 138.7
[M+H-H2O]+ 160.06748 125.4
[M+HCOO]- 222.06842 156.0
[M+CH3COO]- 236.08407 146.8
[M+Na-2H]- 198.04489 139.1
[M]+ 177.06967 129.3
[M]- 177.07077 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe