CID 2735937

3,5-dibromobenzamide

Structural Information

Molecular Formula

C₇H₅Br₂NO

SMILES

C1=C(C=C(C=C1Br)Br)C(=O)N

InChI

InChI=1S/C7H5Br2NO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)

InChIKey

IOFGMNBDIDEBIQ-UHFFFAOYSA-N

Compound name

3,5-dibromobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 276.87378 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.881056	136.8
[M+Na]+	299.862998	147.6
[M-H]-	275.866504	143.3
[M+NH4]+	294.907603	156.1
[M+K]+	315.836938	131.8
[M+H-H2O]+	259.871040	144.0
[M+HCOO]-	321.871981	153.4
[M+CH3COO]-	335.887631	201.7
[M+Na-2H]-	297.848446	143.1
[M]+	276.87323142	169.1
[M]-	276.87432858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe