CID 84438

Benzamide, n-(4-chlorophenyl)-2-hydroxy-3,5-diiodo-

Structural Information

Molecular Formula
C13H8ClI2NO2
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl
InChI
InChI=1S/C13H8ClI2NO2/c14-7-1-3-9(4-2-7)17-13(19)10-5-8(15)6-11(16)12(10)18/h1-6,18H,(H,17,19)
InChIKey
RIDKPYWFXYZRSJ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-hydroxy-3,5-diiodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

498.8333 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.84058 179.2
[M+Na]+ 521.82252 173.5
[M-H]- 497.82602 172.2
[M+NH4]+ 516.86712 184.7
[M+K]+ 537.79646 180.2
[M+H-H2O]+ 481.83056 166.7
[M+HCOO]- 543.83150 186.7
[M+CH3COO]- 557.84715 217.9
[M+Na-2H]- 519.80797 164.2
[M]+ 498.83275 175.2
[M]- 498.83385 175.2
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