CID 73026

28230-32-2

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(N=N2)O
InChI
InChI=1S/C7H5N3O2/c11-7-5-3-1-2-4-6(5)8-9-10(7)12/h1-4,12H
InChIKey
HJBLUNHMOKFZQX-UHFFFAOYSA-N
Compound name
3-hydroxy-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

8073
Patents

163.03818 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 129.7
[M+Na]+ 186.02740 141.2
[M-H]- 162.03090 129.7
[M+NH4]+ 181.07200 147.0
[M+K]+ 202.00134 137.9
[M+H-H2O]+ 146.03544 122.2
[M+HCOO]- 208.03638 149.9
[M+CH3COO]- 222.05203 143.2
[M+Na-2H]- 184.01285 140.4
[M]+ 163.03763 130.3
[M]- 163.03873 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe