CID 61064237

(5-bromothiophen-2-yl)methanesulfonamide

Structural Information

Molecular Formula

C₅H₆BrNO₂S₂

SMILES

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

InChI

InChI=1S/C5H6BrNO2S2/c6-5-2-1-4(10-5)3-11(7,8)9/h1-2H,3H2,(H2,7,8,9)

InChIKey

BMXZGTRENOAWRP-UHFFFAOYSA-N

Compound name

(5-bromothiophen-2-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.90233 Da
Monoisotopic Mass: 1.2
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]+	255.909606	132.5
[M+Na]+	277.891548	146.5
[M-H]-	253.895054	139.0
[M+NH4]+	272.936153	155.3
[M+K]+	293.865488	133.5
[M+H-H2O]+	237.899590	133.3
[M+HCOO]-	299.900531	145.9
[M+CH3COO]-	313.916181	186.4
[M+Na-2H]-	275.876996	136.9
[M]+	254.90178142	152.5
[M]-	254.90287858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.