CID 55474

N-benzoyl-3,5-diiodoanthranilic acid

Structural Information

Molecular Formula
C14H9I2NO3
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2I)I)C(=O)O
InChI
InChI=1S/C14H9I2NO3/c15-9-6-10(14(19)20)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8/h1-7H,(H,17,18)(H,19,20)
InChIKey
ZBYHDRJUYBZIBL-UHFFFAOYSA-N
Compound name
2-benzamido-3,5-diiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.8672 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.87448 187.1
[M+Na]+ 515.85642 182.9
[M+NH4]+ 510.90102 184.7
[M+K]+ 531.83036 184.0
[M-H]- 491.85992 177.9
[M+Na-2H]- 513.84187 171.1
[M]+ 492.86665 181.8
[M]- 492.86775 181.8
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.