CID 64040474

4-chloro-1-cyclopentyl-3-nitro-1h-pyrazole

Structural Information

Molecular Formula
C8H10ClN3O2
SMILES
C1CCC(C1)N2C=C(C(=N2)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H10ClN3O2/c9-7-5-11(6-3-1-2-4-6)10-8(7)12(13)14/h5-6H,1-4H2
InChIKey
PZFGFGNMVJNXFH-UHFFFAOYSA-N
Compound name
4-chloro-1-cyclopentyl-3-nitropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.04616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05344 147.3
[M+Na]+ 238.03538 154.7
[M-H]- 214.03888 151.3
[M+NH4]+ 233.07998 166.3
[M+K]+ 254.00932 147.9
[M+H-H2O]+ 198.04342 144.6
[M+HCOO]- 260.04436 165.8
[M+CH3COO]- 274.06001 177.9
[M+Na-2H]- 236.02083 150.8
[M]+ 215.04561 144.9
[M]- 215.04671 144.9
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.