CID 3564360

3-(2,4-dichlorophenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₉H₇Cl₂N₃

SMILES

C1=CC(=C(C=C1Cl)Cl)C2=CC(=NN2)N

InChI

InChI=1S/C9H7Cl2N3/c10-5-1-2-6(7(11)3-5)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)

InChIKey

XSHXVQWCAGNATP-UHFFFAOYSA-N

Compound name

5-(2,4-dichlorophenyl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 227.00171 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	228.00899	144.8
[M+Na]+	249.99093	159.5
[M+NH4]+	245.03553	153.5
[M+K]+	265.96487	153.6
[M-H]-	225.99443	147.9
[M+Na-2H]-	247.97638	152.8
[M]+	227.00116	148.3
[M]-	227.00226	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe