CID 101309

7510-83-0

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₂S

SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C10H14BrNO2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3

InChIKey

ADKBLQZUNFFNSI-UHFFFAOYSA-N

Compound name

4-bromo-N-(2-methylpropyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 290.99286 Da
Monoisotopic Mass: 2.9
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]+	292.000136	148.0
[M+Na]+	313.982078	158.9
[M-H]-	289.985584	154.3
[M+NH4]+	309.026683	167.6
[M+K]+	329.956018	146.7
[M+H-H2O]+	273.990120	147.6
[M+HCOO]-	335.991061	163.9
[M+CH3COO]-	350.006711	197.2
[M+Na-2H]-	311.967526	153.4
[M]+	290.99231142	168.7
[M]-	290.99340858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe