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

16
Patents

195.05632 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06360 140.4
[M+Na]+ 218.04554 149.8
[M-H]- 194.04904 144.1
[M+NH4]+ 213.09014 159.3
[M+K]+ 234.01948 145.0
[M+H-H2O]+ 178.05358 132.8
[M+HCOO]- 240.05452 158.8
[M+CH3COO]- 254.07017 153.4
[M+Na-2H]- 216.03099 144.9
[M]+ 195.05577 139.0
[M]- 195.05687 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