CID 4962123

89102-54-5

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₃S

SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)CBr

InChI

InChI=1S/C10H12BrNO3S/c1-12(2)16(14,15)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3

InChIKey

GPRFNTIBFADUHF-UHFFFAOYSA-N

Compound name

4-(2-bromoacetyl)-N,N-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 304.97214 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]+	305.97942	143.8
[M+Na]+	327.96136	145.1
[M+NH4]+	323.00596	147.5
[M+K]+	343.93530	146.0
[M-H]-	303.96486	143.4
[M+Na-2H]-	325.94681	146.9
[M]+	304.97159	143.0
[M]-	304.97269	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe