CID 15580668

6463-41-8

Structural Information

Molecular Formula

C₉H₁₀ClN₃

SMILES

C1CN(N=C1N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C9H10ClN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2,(H2,11,12)

InChIKey

BBHIPBFRTBIKAC-UHFFFAOYSA-N

Compound name

2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 195.05632 Da
Monoisotopic Mass: 1.6
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]+	196.06360	139.3
[M+Na]+	218.04554	152.8
[M+NH4]+	213.09014	148.3
[M+K]+	234.01948	147.4
[M-H]-	194.04904	142.8
[M+Na-2H]-	216.03099	147.4
[M]+	195.05577	142.4
[M]-	195.05687	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe