CID 14664790

56919-21-2

Structural Information

Molecular Formula

C₇H₈BrNO₂S

SMILES

CC1=CC(=C(C=C1)Br)S(=O)(=O)N

InChI

InChI=1S/C7H8BrNO2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)

InChIKey

IDQCDTNEEVQABW-UHFFFAOYSA-N

Compound name

2-bromo-5-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.9459 Da
Monoisotopic Mass: 1.5
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]+	249.95318	134.6
[M+Na]+	271.93512	147.8
[M-H]-	247.93862	141.3
[M+NH4]+	266.97972	155.9
[M+K]+	287.90906	135.5
[M+H-H2O]+	231.94316	134.8
[M+HCOO]-	293.94410	151.8
[M+CH3COO]-	307.95975	188.5
[M+Na-2H]-	269.92057	140.9
[M]+	248.94535	154.2
[M]-	248.94645	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe