CID 72211811

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

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC(=CC(=C1)Cl)C2=CNN=C2
InChI
InChI=1S/C9H7ClN2/c10-9-3-1-2-7(4-9)8-5-11-12-6-8/h1-6H,(H,11,12)
InChIKey
FCGSNXWYYALGBL-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe