CID 47183788

3-bromo-4-iodobenzamide

Structural Information

Molecular Formula
C7H5BrINO
SMILES
C1=CC(=C(C=C1C(=O)N)Br)I
InChI
InChI=1S/C7H5BrINO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKey
JFHQUNCUTPWALA-UHFFFAOYSA-N
Compound name
3-bromo-4-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.85992 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.86720 148.6
[M+Na]+ 347.84914 153.5
[M-H]- 323.85264 148.1
[M+NH4]+ 342.89374 165.3
[M+K]+ 363.82308 148.2
[M+H-H2O]+ 307.85718 144.6
[M+HCOO]- 369.85812 165.6
[M+CH3COO]- 383.87377 194.7
[M+Na-2H]- 345.83459 143.0
[M]+ 324.85937 161.9
[M]- 324.86047 161.9
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.