CID 65416914

5-bromo-2-methylthiophene-3-sulfonamide

Structural Information

Molecular Formula

C₅H₆BrNO₂S₂

SMILES

CC1=C(C=C(S1)Br)S(=O)(=O)N

InChI

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

InChIKey

OXURZRLVOOZFHZ-UHFFFAOYSA-N

Compound name

5-bromo-2-methylthiophene-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 254.90233 Da
Monoisotopic Mass: 1.6
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]+	255.909606	131.9
[M+Na]+	277.891548	146.6
[M-H]-	253.895054	138.7
[M+NH4]+	272.936153	154.9
[M+K]+	293.865488	133.4
[M+H-H2O]+	237.899590	132.8
[M+HCOO]-	299.900531	145.1
[M+CH3COO]-	313.916181	187.4
[M+Na-2H]-	275.876996	135.7
[M]+	254.90178142	152.2
[M]-	254.90287858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe