CID 218417

4-(4-chlorophenyl)-1h-pyrazol-5-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

39
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 138.4
[M+Na]+ 216.02990 152.3
[M+NH4]+ 211.07450 147.1
[M+K]+ 232.00384 147.0
[M-H]- 192.03340 141.6
[M+Na-2H]- 214.01535 146.8
[M]+ 193.04013 141.4
[M]- 193.04123 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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