CID 484710

3-bromopyrazolo[5,1-c][1,2,4]benzotriazine

Structural Information

Molecular Formula
C9H5BrN4
SMILES
C1=CC=C2C(=C1)N=NC3=C(C=NN23)Br
InChI
InChI=1S/C9H5BrN4/c10-6-5-11-14-8-4-2-1-3-7(8)12-13-9(6)14/h1-5H
InChIKey
YVTOWPKCEINMOW-UHFFFAOYSA-N
Compound name
3-bromopyrazolo[5,1-c][1,2,4]benzotriazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96976 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.97704 141.8
[M+Na]+ 270.95898 157.7
[M-H]- 246.96248 145.9
[M+NH4]+ 266.00358 161.8
[M+K]+ 286.93292 146.0
[M+H-H2O]+ 230.96702 140.6
[M+HCOO]- 292.96796 161.0
[M+CH3COO]- 306.98361 157.2
[M+Na-2H]- 268.94443 153.6
[M]+ 247.96921 162.9
[M]- 247.97031 162.9
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.