CID 13303424

1h-pyrazol-4-amine, 3-(2-chlorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H8ClN3
SMILES
C1=CC=C(C(=C1)C2=C(C=NN2)N)Cl
InChI
InChI=1S/C9H8ClN3/c10-7-4-2-1-3-6(7)9-8(11)5-12-13-9/h1-5H,11H2,(H,12,13)
InChIKey
JRBGTRQXDVUUIX-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04068 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.