CID 82084835

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

Structural Information

Molecular Formula
C10H9Cl2N3
SMILES
CC1=NN(C(=C1)N)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H9Cl2N3/c1-6-2-10(13)15(14-6)9-4-7(11)3-8(12)5-9/h2-5H,13H2,1H3
InChIKey
CHRKCTSHSRJNHC-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

241.01735 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02463 150.8
[M+Na]+ 264.00657 162.9
[M-H]- 240.01007 154.5
[M+NH4]+ 259.05117 168.8
[M+K]+ 279.98051 156.3
[M+H-H2O]+ 224.01461 143.9
[M+HCOO]- 286.01555 164.9
[M+CH3COO]- 300.03120 163.6
[M+Na-2H]- 261.99202 153.3
[M]+ 241.01680 152.9
[M]- 241.01790 152.9
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