CID 357004

Nsc614573

Structural Information

Molecular Formula
C15H8N4O4
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)N3C4=C(C=C(C=C4)[N+](=O)[O-])N=N3
InChI
InChI=1S/C15H8N4O4/c20-15-13(7-9-3-1-2-4-14(9)23-15)18-12-6-5-10(19(21)22)8-11(12)16-17-18/h1-8H
InChIKey
HJTGLHKBJWOBPO-UHFFFAOYSA-N
Compound name
3-(5-nitrobenzotriazol-1-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05457 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06185 164.7
[M+Na]+ 331.04379 175.6
[M-H]- 307.04729 171.6
[M+NH4]+ 326.08839 176.7
[M+K]+ 347.01773 167.5
[M+H-H2O]+ 291.05183 159.2
[M+HCOO]- 353.05277 186.5
[M+CH3COO]- 367.06842 198.4
[M+Na-2H]- 329.02924 175.9
[M]+ 308.05402 167.7
[M]- 308.05512 167.7
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.