CID 11187994

1,4-diiodo-2-nitrobenzene

Structural Information

Molecular Formula
C6H3I2NO2
SMILES
C1=CC(=C(C=C1I)[N+](=O)[O-])I
InChI
InChI=1S/C6H3I2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey
WNAMUUCHNYHBEV-UHFFFAOYSA-N
Compound name
1,4-diiodo-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

374.82532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.83260 149.3
[M+Na]+ 397.81454 143.4
[M-H]- 373.81804 141.5
[M+NH4]+ 392.85914 158.4
[M+K]+ 413.78848 150.2
[M+H-H2O]+ 357.82258 141.6
[M+HCOO]- 419.82352 163.0
[M+CH3COO]- 433.83917 196.5
[M+Na-2H]- 395.79999 138.6
[M]+ 374.82477 143.4
[M]- 374.82587 143.4
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

patents stripe