CID 55283047

3-(4-chloro-3-fluorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H6ClFN2
SMILES
C1=CC(=C(C=C1C2=CC=NN2)F)Cl
InChI
InChI=1S/C9H6ClFN2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKey
APAVURNMBHMJQI-UHFFFAOYSA-N
Compound name
5-(4-chloro-3-fluorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.02036 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02764 136.1
[M+Na]+ 219.00958 147.1
[M-H]- 195.01308 137.9
[M+NH4]+ 214.05418 154.9
[M+K]+ 234.98352 141.1
[M+H-H2O]+ 179.01762 128.2
[M+HCOO]- 241.01856 153.0
[M+CH3COO]- 255.03421 149.3
[M+Na-2H]- 216.99503 141.2
[M]+ 196.01981 135.0
[M]- 196.02091 135.0
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.