CID 484720

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

Structural Information

Molecular Formula
C10H4N6O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=NC3=C(C=NN23)C#N
InChI
InChI=1S/C10H4N6O2/c11-4-6-5-12-15-9-2-1-7(16(17)18)3-8(9)13-14-10(6)15/h1-3,5H
InChIKey
MLWOKSYJNDIASW-UHFFFAOYSA-N
Compound name
7-nitropyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03957 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04685 151.1
[M+Na]+ 263.02879 163.1
[M-H]- 239.03229 150.4
[M+NH4]+ 258.07339 163.8
[M+K]+ 279.00273 153.6
[M+H-H2O]+ 223.03683 138.8
[M+HCOO]- 285.03777 168.2
[M+CH3COO]- 299.05342 198.2
[M+Na-2H]- 261.01424 161.0
[M]+ 240.03902 146.4
[M]- 240.04012 146.4
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.