CID 51000085

1261438-84-9

Structural Information

Molecular Formula

C₇H₈BrNO₃S

SMILES

COC1=CC(=CC(=C1)Br)S(=O)(=O)N

InChI

InChI=1S/C7H8BrNO3S/c1-12-6-2-5(8)3-7(4-6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)

InChIKey

MIOYHODZZFACDK-UHFFFAOYSA-N

Compound name

3-bromo-5-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.94083 Da
Monoisotopic Mass: 1.1
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]+	265.94811	137.4
[M+Na]+	287.93005	150.4
[M-H]-	263.93355	144.0
[M+NH4]+	282.97465	157.9
[M+K]+	303.90399	138.5
[M+H-H2O]+	247.93809	137.3
[M+HCOO]-	309.93903	154.8
[M+CH3COO]-	323.95468	190.4
[M+Na-2H]-	285.91550	143.9
[M]+	264.94028	158.4
[M]-	264.94138	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe