CID 48922

Benzoic acid, 3,5-bis(formamido)-2,4,6-triiodo-

Structural Information

Molecular Formula
C9H5I3N2O4
SMILES
C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC=O)I
InChI
InChI=1S/C9H5I3N2O4/c10-4-3(9(17)18)5(11)8(14-2-16)6(12)7(4)13-1-15/h1-2H,(H,13,15)(H,14,16)(H,17,18)
InChIKey
LZVYTVQEXANZSA-UHFFFAOYSA-N
Compound name
3,5-diformamido-2,4,6-triiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.7383 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.74558 189.5
[M+Na]+ 608.72752 178.0
[M+NH4]+ 603.77212 183.0
[M+K]+ 624.70146 182.7
[M-H]- 584.73102 175.4
[M+Na-2H]- 606.71297 168.8
[M]+ 585.73775 181.3
[M]- 585.73885 181.3
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.