CID 984592

4-bromo-n-(2-iodophenyl)benzamide

Structural Information

Molecular Formula
C13H9BrINO
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)Br)I
InChI
InChI=1S/C13H9BrINO/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,(H,16,17)
InChIKey
LTCNIKPGJHVOBG-UHFFFAOYSA-N
Compound name
4-bromo-N-(2-iodophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.8912 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.89848 168.4
[M+Na]+ 423.88042 171.8
[M-H]- 399.88392 170.3
[M+NH4]+ 418.92502 182.1
[M+K]+ 439.85436 165.7
[M+H-H2O]+ 383.88846 163.1
[M+HCOO]- 445.88940 185.4
[M+CH3COO]- 459.90505 206.8
[M+Na-2H]- 421.86587 163.2
[M]+ 400.89065 182.1
[M]- 400.89175 182.1
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

No patent data available for this compound.