CID 484722

3-bromo-7-nitro-pyrazolo[5,1-c][1,2,4]benzotriazine

Structural Information

Molecular Formula
C9H4BrN5O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=NC3=C(C=NN23)Br
InChI
InChI=1S/C9H4BrN5O2/c10-6-4-11-14-8-2-1-5(15(16)17)3-7(8)12-13-9(6)14/h1-4H
InChIKey
OBOICKPXIJXABD-UHFFFAOYSA-N
Compound name
3-bromo-7-nitropyrazolo[5,1-c][1,2,4]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.95483 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.96211 150.3
[M+Na]+ 315.94405 164.6
[M-H]- 291.94755 154.9
[M+NH4]+ 310.98865 167.6
[M+K]+ 331.91799 149.5
[M+H-H2O]+ 275.95209 152.6
[M+HCOO]- 337.95303 170.2
[M+CH3COO]- 351.96868 192.2
[M+Na-2H]- 313.92950 163.4
[M]+ 292.95428 170.7
[M]- 292.95538 170.7
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.