CID 165768612

7-chloro-1h,2h,3h-pyrazolo[1,5-a]imidazole

Structural Information

Molecular Formula
C5H6ClN3
SMILES
C1CN2C(=C(C=N2)Cl)N1
InChI
InChI=1S/C5H6ClN3/c6-4-3-8-9-2-1-7-5(4)9/h3,7H,1-2H2
InChIKey
DSCRUDQDNIFFOX-UHFFFAOYSA-N
Compound name
7-chloro-2,3-dihydro-1H-imidazo[2,1-e]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.02502 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 127.3
[M+Na]+ 166.014238 137.8
[M-H]- 142.017744 126.5
[M+NH4]+ 161.058843 149.4
[M+K]+ 181.988178 134.2
[M+H-H2O]+ 126.022280 120.4
[M+HCOO]- 188.023221 142.8
[M+CH3COO]- 202.038871 140.6
[M+Na-2H]- 163.999686 132.2
[M]+ 143.02447142 126.2
[M]- 143.02556858 126.2
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.