CID 125449555

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

Structural Information

Molecular Formula
C9H8FN3
SMILES
C1=CC(=CC=C1NC2=CNN=C2)F
InChI
InChI=1S/C9H8FN3/c10-7-1-3-8(4-2-7)13-9-5-11-12-6-9/h1-6,13H,(H,11,12)
InChIKey
HFPYMJNLKPFKBT-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07750 133.0
[M+Na]+ 200.05944 141.5
[M-H]- 176.06294 134.8
[M+NH4]+ 195.10404 151.1
[M+K]+ 216.03338 137.2
[M+H-H2O]+ 160.06748 124.2
[M+HCOO]- 222.06842 155.8
[M+CH3COO]- 236.08407 145.8
[M+Na-2H]- 198.04489 140.1
[M]+ 177.06967 129.0
[M]- 177.07077 129.0
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

No patent data available for this compound.