CID 135408793

4-ketobenzotriazine

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC=C2C(=C1)C(=O)NN=N2
InChI
InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)
InChIKey
DMSSTTLDFWKBSX-UHFFFAOYSA-N
Compound name
3H-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

3858
Patents

147.04326 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 126.4
[M+Na]+ 170.03248 137.1
[M-H]- 146.03598 126.0
[M+NH4]+ 165.07708 144.1
[M+K]+ 186.00642 133.1
[M+H-H2O]+ 130.04052 118.8
[M+HCOO]- 192.04146 146.4
[M+CH3COO]- 206.05711 139.7
[M+Na-2H]- 168.01793 137.8
[M]+ 147.04271 125.2
[M]- 147.04381 125.2
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