CID 1105931

2-iodo-n-(2,4,5-trichlorophenyl)benzamide

Structural Information

Molecular Formula
C13H7Cl3INO
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)I
InChI
InChI=1S/C13H7Cl3INO/c14-8-5-10(16)12(6-9(8)15)18-13(19)7-3-1-2-4-11(7)17/h1-6H,(H,18,19)
InChIKey
HPPNQIYWHDAMLT-UHFFFAOYSA-N
Compound name
2-iodo-N-(2,4,5-trichlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.8638 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.87108 168.9
[M+Na]+ 447.85302 172.5
[M-H]- 423.85652 167.2
[M+NH4]+ 442.89762 180.2
[M+K]+ 463.82696 171.2
[M+H-H2O]+ 407.86106 160.6
[M+HCOO]- 469.86200 174.4
[M+CH3COO]- 483.87765 212.6
[M+Na-2H]- 445.83847 160.1
[M]+ 424.86325 169.7
[M]- 424.86435 169.7
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.