CID 484709

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

Structural Information

Molecular Formula
C9H5BrN4O
SMILES
C1=CC=C2C(=C1)N3C(=C(C=N3)Br)N=[N+]2[O-]
InChI
InChI=1S/C9H5BrN4O/c10-6-5-11-13-7-3-1-2-4-8(7)14(15)12-9(6)13/h1-5H
InChIKey
IOWQXXXGIQMCMD-UHFFFAOYSA-N
Compound name
3-bromo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.96466 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.97194 147.3
[M+Na]+ 286.95388 162.6
[M-H]- 262.95738 150.7
[M+NH4]+ 281.99848 165.8
[M+K]+ 302.92782 146.7
[M+H-H2O]+ 246.96192 150.5
[M+HCOO]- 308.96286 165.6
[M+CH3COO]- 322.97851 183.8
[M+Na-2H]- 284.93933 160.1
[M]+ 263.96411 166.8
[M]- 263.96521 166.8
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.