CID 1548580

N-(4-bromophenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C13H9BrINO
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Br)I
InChI
InChI=1S/C13H9BrINO/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h1-8H,(H,16,17)
InChIKey
XUJLTWUSZHGSBY-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

400.8912 Da
Monoisotopic Mass

3.5
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

patents stripe