CID 218417

4-(4-chlorophenyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC(=CC=C1C2=C(NN=C2)N)Cl
InChI
InChI=1S/C9H8ClN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKey
CTDDRNREDMYWMI-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

41
Patents

193.04068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04796 138.9
[M+Na]+ 216.02990 149.0
[M-H]- 192.03340 141.7
[M+NH4]+ 211.07450 157.3
[M+K]+ 232.00384 143.0
[M+H-H2O]+ 176.03794 131.7
[M+HCOO]- 238.03888 157.3
[M+CH3COO]- 252.05453 151.8
[M+Na-2H]- 214.01535 144.0
[M]+ 193.04013 137.2
[M]- 193.04123 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe