CID 13303426

91857-94-2

Structural Information

Molecular Formula
C9H8FN3
SMILES
C1=CC(=CC=C1C2=C(C=NN2)N)F
InChI
InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2,(H,12,13)
InChIKey
QUVOLGJMWPXAAL-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 133.9
[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

No literature data available for this compound.

Patent stripe

patents stripe