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

13
Patents

227.00171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.008986 146.0
[M+Na]+ 249.990928 157.2
[M-H]- 225.994434 148.2
[M+NH4]+ 245.035533 163.6
[M+K]+ 265.964868 150.0
[M+H-H2O]+ 209.998970 139.4
[M+HCOO]- 271.999911 159.1
[M+CH3COO]- 286.015561 158.3
[M+Na-2H]- 247.976376 149.4
[M]+ 227.00116142 145.6
[M]- 227.00225858 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