CID 136694492

1-azido-1,2-benziodoxol-3(1h)-one

Structural Information

Molecular Formula
C7H5IN3O2
SMILES
C1=CC=C2C(=C1)C(=O)OI2#[N+]N=N
InChI
InChI=1S/C7H5IN3O2/c9-11-10-8-6-4-2-1-3-5(6)7(12)13-8/h1-4,9H/q+1
InChIKey
DWNWTEKFDHJZOM-UHFFFAOYSA-N
Compound name
diazenyl-(3-oxo-1lambda5,2-benziodoxol-1-ylidyne)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.94266 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.94994 149.4
[M+Na]+ 312.93188 154.1
[M-H]- 288.93538 148.8
[M+NH4]+ 307.97648 163.7
[M+K]+ 328.90582 151.6
[M+H-H2O]+ 272.93992 136.1
[M+HCOO]- 334.94086 167.4
[M+CH3COO]- 348.95651 197.0
[M+Na-2H]- 310.91733 148.1
[M]+ 289.94211 141.3
[M]- 289.94321 141.3
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.