CID 220966

2-iodo-3-nitrobenzoic acid

Structural Information

Molecular Formula
C7H4INO4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])I)C(=O)O
InChI
InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
InChIKey
XWOGTRRVKVPJSP-UHFFFAOYSA-N
Compound name
2-iodo-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

292.91852 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.925796 150.2
[M+Na]+ 315.907738 151.0
[M-H]- 291.911244 146.2
[M+NH4]+ 310.952343 163.5
[M+K]+ 331.881678 151.5
[M+H-H2O]+ 275.915780 145.3
[M+HCOO]- 337.916721 169.0
[M+CH3COO]- 351.932371 181.7
[M+Na-2H]- 313.893186 144.0
[M]+ 292.91797142 146.0
[M]- 292.91906858 146.0
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