CID 97046767

1-azido-4-iodo-2-nitrobenzene

Structural Information

Molecular Formula
C6H3IN4O2
SMILES
C1=CC(=C(C=C1I)[N+](=O)[O-])N=[N+]=[N-]
InChI
InChI=1S/C6H3IN4O2/c7-4-1-2-5(9-10-8)6(3-4)11(12)13/h1-3H
InChIKey
YYKRWOVOXYZYPH-UHFFFAOYSA-N
Compound name
1-azido-4-iodo-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.93008 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.93736 154.9
[M+Na]+ 312.91930 161.0
[M+NH4]+ 307.96390 159.0
[M+K]+ 328.89324 161.1
[M-H]- 288.92280 155.1
[M+Na-2H]- 310.90475 149.4
[M]+ 289.92953 154.6
[M]- 289.93063 154.6
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.