CID 484731

8-chloropyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide

Structural Information

Molecular Formula
C9H5ClN4O
SMILES
C1=CC2=C(C=C1Cl)N3C(=CC=N3)N=[N+]2[O-]
InChI
InChI=1S/C9H5ClN4O/c10-6-1-2-7-8(5-6)13-9(3-4-11-13)12-14(7)15/h1-5H
InChIKey
PSEJXMDHUVJOEJ-UHFFFAOYSA-N
Compound name
8-chloro-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

220.01518 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02246 142.7
[M+Na]+ 243.00440 155.6
[M-H]- 219.00790 142.4
[M+NH4]+ 238.04900 159.5
[M+K]+ 258.97834 145.5
[M+H-H2O]+ 203.01244 139.1
[M+HCOO]- 265.01338 157.9
[M+CH3COO]- 279.02903 177.2
[M+Na-2H]- 240.98985 154.0
[M]+ 220.01463 144.5
[M]- 220.01573 144.5
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.