CID 71742603

3-iodo-5-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H4INO3
SMILES
C1=C(C=C(C=C1[N+](=O)[O-])I)C=O
InChI
InChI=1S/C7H4INO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
InChIKey
NMHQMPOORDLZLS-UHFFFAOYSA-N
Compound name
3-iodo-5-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.92358 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.93086 145.6
[M+Na]+ 299.91280 147.3
[M-H]- 275.91630 143.0
[M+NH4]+ 294.95740 160.4
[M+K]+ 315.88674 147.7
[M+H-H2O]+ 259.92084 140.7
[M+HCOO]- 321.92178 166.6
[M+CH3COO]- 335.93743 181.7
[M+Na-2H]- 297.89825 141.1
[M]+ 276.92303 142.6
[M]- 276.92413 142.6
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.