CID 154809682

4-chloro-3-nitropyrazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C6H3ClN4O2
SMILES
C1=CN2C(=C(C=N2)[N+](=O)[O-])C(=N1)Cl
InChI
InChI=1S/C6H3ClN4O2/c7-6-5-4(11(12)13)3-9-10(5)2-1-8-6/h1-3H
InChIKey
VRRQFGOKAKDKJN-UHFFFAOYSA-N
Compound name
4-chloro-3-nitropyrazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99445 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00173 133.7
[M+Na]+ 220.98367 145.3
[M-H]- 196.98717 135.2
[M+NH4]+ 216.02827 152.0
[M+K]+ 236.95761 137.8
[M+H-H2O]+ 180.99171 131.2
[M+HCOO]- 242.99265 153.7
[M+CH3COO]- 257.00830 175.3
[M+Na-2H]- 218.96912 144.6
[M]+ 197.99390 136.1
[M]- 197.99500 136.1
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.