CID 43531715

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

Structural Information

Molecular Formula
C9H8FN3
SMILES
C1=CC(=CC=C1N2C=C(C=N2)N)F
InChI
InChI=1S/C9H8FN3/c10-7-1-3-9(4-2-7)13-6-8(11)5-12-13/h1-6H,11H2
InChIKey
UBKWWOPAKRZWTI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

177.07022 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07750 133.5
[M+Na]+ 200.05944 143.4
[M-H]- 176.06294 136.6
[M+NH4]+ 195.10404 152.4
[M+K]+ 216.03338 139.6
[M+H-H2O]+ 160.06748 124.7
[M+HCOO]- 222.06842 157.1
[M+CH3COO]- 236.08407 147.1
[M+Na-2H]- 198.04489 139.2
[M]+ 177.06967 130.7
[M]- 177.07077 130.7
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