CID 47001060

4-bromo-3-methoxybenzenesulfonamide

Structural Information

Molecular Formula

C₇H₈BrNO₃S

SMILES

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

InChI

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

InChIKey

XHTNDORPWRQZID-UHFFFAOYSA-N

Compound name

4-bromo-3-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	135.9
[M+Na]+	287.93005	138.0
[M+NH4]+	282.97465	140.0
[M+K]+	303.90399	138.5
[M-H]-	263.93355	135.6
[M+Na-2H]-	285.91550	138.9
[M]+	264.94028	135.3
[M]-	264.94138	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe