CID 65348926

2-(3-chlorophenyl)-2h,4h,5h,6h-cyclopenta[c]pyrazol-3-amine

Structural Information

Molecular Formula
C12H12ClN3
SMILES
C1CC2=C(N(N=C2C1)C3=CC(=CC=C3)Cl)N
InChI
InChI=1S/C12H12ClN3/c13-8-3-1-4-9(7-8)16-12(14)10-5-2-6-11(10)15-16/h1,3-4,7H,2,5-6,14H2
InChIKey
VSAXQROHLQTPLY-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.07198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.079256 151.9
[M+Na]+ 256.061198 162.3
[M-H]- 232.064704 157.0
[M+NH4]+ 251.105803 172.3
[M+K]+ 272.035138 156.5
[M+H-H2O]+ 216.069240 144.5
[M+HCOO]- 278.070181 170.0
[M+CH3COO]- 292.085831 164.8
[M+Na-2H]- 254.046646 154.1
[M]+ 233.07143142 151.8
[M]- 233.07252858 151.8
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.