CID 12249866

4-iodo-2-nitroanisole

Structural Information

Molecular Formula
C7H6INO3
SMILES
COC1=C(C=C(C=C1)I)[N+](=O)[O-]
InChI
InChI=1S/C7H6INO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
InChIKey
WULXGCDMVLQZBT-UHFFFAOYSA-N
Compound name
4-iodo-1-methoxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

103
Patents

278.93924 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.94652 144.7
[M+Na]+ 301.92846 150.8
[M+NH4]+ 296.97306 148.8
[M+K]+ 317.90240 150.3
[M-H]- 277.93196 141.7
[M+Na-2H]- 299.91391 138.5
[M]+ 278.93869 143.6
[M]- 278.93979 143.6
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