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

20
Patents

195.05632 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 140.4
[M+Na]+ 218.045538 149.8
[M-H]- 194.049044 144.1
[M+NH4]+ 213.090143 159.3
[M+K]+ 234.019478 145.0
[M+H-H2O]+ 178.053580 132.8
[M+HCOO]- 240.054521 158.8
[M+CH3COO]- 254.070171 153.4
[M+Na-2H]- 216.030986 144.9
[M]+ 195.05577142 139.0
[M]- 195.05686858 139.0
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