CID 459346

3,4'-diiodophthalanilic acid, sodium salt

Structural Information

Molecular Formula
C14H9I2NO3
SMILES
C1=CC(=C(C(=C1)I)C(=O)NC2=CC=C(C=C2)I)C(=O)O
InChI
InChI=1S/C14H9I2NO3/c15-8-4-6-9(7-5-8)17-13(18)12-10(14(19)20)2-1-3-11(12)16/h1-7H,(H,17,18)(H,19,20)
InChIKey
RAZPMEJMYJHTNM-UHFFFAOYSA-N
Compound name
3-iodo-2-[(4-iodophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.8672 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.87448 183.7
[M+Na]+ 515.85642 176.0
[M-H]- 491.85992 176.4
[M+NH4]+ 510.90102 188.0
[M+K]+ 531.83036 184.4
[M+H-H2O]+ 475.86446 170.0
[M+HCOO]- 537.86540 193.7
[M+CH3COO]- 551.88105 218.2
[M+Na-2H]- 513.84187 167.8
[M]+ 492.86665 177.7
[M]- 492.86775 177.7
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.