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 155.6
[M+Na]+ 312.91930 155.9
[M-H]- 288.92280 155.3
[M+NH4]+ 307.96390 169.2
[M+K]+ 328.89324 152.2
[M+H-H2O]+ 272.92734 153.5
[M+HCOO]- 334.92828 181.6
[M+CH3COO]- 348.94393 188.6
[M+Na-2H]- 310.90475 154.1
[M]+ 289.92953 149.3
[M]- 289.93063 149.3
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.