CID 22019533

5-bromo-4-methylthiophene-2-sulfonamide

Structural Information

Molecular Formula

C₅H₆BrNO₂S₂

SMILES

CC1=C(SC(=C1)S(=O)(=O)N)Br

InChI

InChI=1S/C5H6BrNO2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3,(H2,7,8,9)

InChIKey

DHBGCIHMCCBTPL-UHFFFAOYSA-N

Compound name

5-bromo-4-methylthiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 254.90233 Da
Monoisotopic Mass: 1.9
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]+	255.90961	131.9
[M+Na]+	277.89155	146.6
[M-H]-	253.89505	138.7
[M+NH4]+	272.93615	154.9
[M+K]+	293.86549	133.4
[M+H-H2O]+	237.89959	132.8
[M+HCOO]-	299.90053	145.1
[M+CH3COO]-	313.91618	187.4
[M+Na-2H]-	275.87700	135.7
[M]+	254.90178	152.2
[M]-	254.90288	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe