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: 10
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]+	277.94811	144.9
[M+Na]+	299.93005	158.2
[M-H]-	275.93355	152.9
[M+NH4]+	294.97465	166.6
[M+K]+	315.90399	147.7
[M+H-H2O]+	259.93809	146.2
[M+HCOO]-	321.93903	160.8
[M+CH3COO]-	335.95468	191.3
[M+Na-2H]-	297.91550	151.8
[M]+	276.94028	165.5
[M]-	276.94138	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe