CID 17148841

5-bromo-n-ethylthiophene-2-carboxamide

Structural Information

Molecular Formula

SMILES

CCNC(=O)C1=CC=C(S1)Br

InChI

InChI=1S/C7H8BrNOS/c1-2-9-7(10)5-3-4-6(8)11-5/h3-4H,2H2,1H3,(H,9,10)

InChIKey

MCZJXRSQHCIODB-UHFFFAOYSA-N

Compound name

5-bromo-N-ethylthiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 232.951 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]+	233.95828	135.7
[M+Na]+	255.94022	136.6
[M+NH4]+	250.98482	140.9
[M+K]+	271.91416	137.3
[M-H]-	231.94372	136.1
[M+Na-2H]-	253.92567	137.9
[M]+	232.95045	135.0
[M]-	232.95155	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe