CID 273481

52745-04-7

Structural Information

Molecular Formula
C13H9N5O2
SMILES
C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C13H9N5O2/c14-13-9-5-1-2-6-10(9)15-16-17(13)11-7-3-4-8-12(11)18(19)20/h1-8,14H
InChIKey
MFNDNYZQIBJJKJ-UHFFFAOYSA-N
Compound name
3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

267.07562 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08290 155.1
[M+Na]+ 290.06484 163.6
[M-H]- 266.06834 159.4
[M+NH4]+ 285.10944 167.0
[M+K]+ 306.03878 154.1
[M+H-H2O]+ 250.07288 149.3
[M+HCOO]- 312.07382 177.6
[M+CH3COO]- 326.08947 193.9
[M+Na-2H]- 288.05029 167.3
[M]+ 267.07507 152.3
[M]- 267.07617 152.3
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

No patent data available for this compound.