CID 4091325

1,3-diiodo-2-methoxy-5-nitrobenzene

Structural Information

Molecular Formula
C7H5I2NO3
SMILES
COC1=C(C=C(C=C1I)[N+](=O)[O-])I
InChI
InChI=1S/C7H5I2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3
InChIKey
LHCXPILOHPAXIN-UHFFFAOYSA-N
Compound name
1,3-diiodo-2-methoxy-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

404.83588 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.84316 158.5
[M+Na]+ 427.82510 155.8
[M+NH4]+ 422.86970 157.5
[M+K]+ 443.79904 159.0
[M-H]- 403.82860 149.4
[M+Na-2H]- 425.81055 142.8
[M]+ 404.83533 153.6
[M]- 404.83643 153.6
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