CID 24695859

5-(3,5-dichlorophenyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C9H7Cl2N3
SMILES
C1=C(C=C(C=C1Cl)Cl)C2=CC(=NN2)N
InChI
InChI=1S/C9H7Cl2N3/c10-6-1-5(2-7(11)3-6)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChIKey
ARQPOUUYHJOGFQ-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

227.00171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00899 146.0
[M+Na]+ 249.99093 157.2
[M-H]- 225.99443 148.2
[M+NH4]+ 245.03553 163.6
[M+K]+ 265.96487 150.0
[M+H-H2O]+ 209.99897 139.4
[M+HCOO]- 271.99991 159.1
[M+CH3COO]- 286.01556 158.3
[M+Na-2H]- 247.97638 149.4
[M]+ 227.00116 145.6
[M]- 227.00226 145.6
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