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]+ 199.001726 133.7
[M+Na]+ 220.983668 145.3
[M-H]- 196.987174 135.2
[M+NH4]+ 216.028273 152.0
[M+K]+ 236.957608 137.8
[M+H-H2O]+ 180.991710 131.2
[M+HCOO]- 242.992651 153.7
[M+CH3COO]- 257.008301 175.3
[M+Na-2H]- 218.969116 144.6
[M]+ 197.99390142 136.1
[M]- 197.99499858 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.