CID 714291

3-(4-chlorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC(=CC=C1C2=CC=NN2)Cl
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKey
HLCXWJKNVWWWOF-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

305
Patents

178.02977 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 134.2
[M+Na]+ 201.01899 144.3
[M-H]- 177.02249 137.1
[M+NH4]+ 196.06359 153.5
[M+K]+ 216.99293 138.8
[M+H-H2O]+ 161.02703 127.0
[M+HCOO]- 223.02797 152.2
[M+CH3COO]- 237.04362 147.6
[M+Na-2H]- 199.00444 140.6
[M]+ 178.02922 133.7
[M]- 178.03032 133.7
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