CID 484716

3,7-dinitropyrazolo[5,1-c][1,2,4]benzotriazine

Structural Information

Molecular Formula
C9H4N6O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=NC3=C(C=NN23)[N+](=O)[O-]
InChI
InChI=1S/C9H4N6O4/c16-14(17)5-1-2-7-6(3-5)11-12-9-8(15(18)19)4-10-13(7)9/h1-4H
InChIKey
ZLXNGSPFHLFPSR-UHFFFAOYSA-N
Compound name
3,7-dinitropyrazolo[5,1-c][1,2,4]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0294 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03668 149.2
[M+Na]+ 283.01862 158.1
[M-H]- 259.02212 151.3
[M+NH4]+ 278.06322 162.0
[M+K]+ 298.99256 146.8
[M+H-H2O]+ 243.02666 148.9
[M+HCOO]- 305.02760 171.3
[M+CH3COO]- 319.04325 185.2
[M+Na-2H]- 281.00407 164.0
[M]+ 260.02885 148.2
[M]- 260.02995 148.2
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.