CID 85536412

3,5-dibromothiophene-2-carboxamide

Structural Information

Molecular Formula

C₅H₃Br₂NOS

SMILES

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

InChI

InChI=1S/C5H3Br2NOS/c6-2-1-3(7)10-4(2)5(8)9/h1H,(H2,8,9)

InChIKey

DNTNPJIUEVMHHF-UHFFFAOYSA-N

Compound name

3,5-dibromothiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.8302 Da
Monoisotopic Mass: 2.5
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]+	283.837476	129.5
[M+Na]+	305.819418	142.4
[M-H]-	281.822924	136.9
[M+NH4]+	300.864023	150.9
[M+K]+	321.793358	126.0
[M+H-H2O]+	265.827460	137.3
[M+HCOO]-	327.828401	143.5
[M+CH3COO]-	341.844051	200.1
[M+Na-2H]-	303.804866	133.8
[M]+	282.82965142	163.6
[M]-	282.83074858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.