CID 71326370

89819-41-0

Structural Information

Molecular Formula

C₈H₈BrNO₃S

SMILES

C1COC2=C1C=C(C=C2S(=O)(=O)N)Br

InChI

InChI=1S/C8H8BrNO3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2,(H2,10,11,12)

InChIKey

IUVSHLZWEWQVIH-UHFFFAOYSA-N

Compound name

5-bromo-2,3-dihydro-1-benzofuran-7-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 276.94083 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]+	277.948106	144.9
[M+Na]+	299.930048	158.2
[M-H]-	275.933554	152.9
[M+NH4]+	294.974653	166.6
[M+K]+	315.903988	147.7
[M+H-H2O]+	259.938090	146.2
[M+HCOO]-	321.939031	160.8
[M+CH3COO]-	335.954681	191.3
[M+Na-2H]-	297.915496	151.8
[M]+	276.94028142	165.5
[M]-	276.94137858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe