CID 15376482

4-(4-fluorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H7FN2
SMILES
C1=CC(=CC=C1C2=CNN=C2)F
InChI
InChI=1S/C9H7FN2/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,(H,11,12)
InChIKey
ODQIVMKWVSKSKF-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

162.05933 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.066606 129.7
[M+Na]+ 185.048548 139.1
[M-H]- 161.052054 131.5
[M+NH4]+ 180.093153 148.8
[M+K]+ 201.022488 135.0
[M+H-H2O]+ 145.056590 121.3
[M+HCOO]- 207.057531 151.4
[M+CH3COO]- 221.073181 143.1
[M+Na-2H]- 183.033996 136.2
[M]+ 162.05878142 126.3
[M]- 162.05987858 126.3
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