CID 15895424

195447-72-4

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂O₃S

SMILES

CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C11H11BrN2O3S/c1-7-8(2)17-13-11(7)14-18(15,16)10-6-4-3-5-9(10)12/h3-6H,1-2H3,(H,13,14)

InChIKey

AEHZMTLXZJYRCA-UHFFFAOYSA-N

Compound name

2-bromo-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 329.96738 Da
Monoisotopic Mass: 2.7
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]+	330.974656	156.9
[M+Na]+	352.956598	170.8
[M-H]-	328.960104	166.9
[M+NH4]+	348.001203	174.8
[M+K]+	368.930538	159.7
[M+H-H2O]+	312.964640	156.6
[M+HCOO]-	374.965581	174.3
[M+CH3COO]-	388.981231	201.9
[M+Na-2H]-	350.942046	162.8
[M]+	329.96683142	180.3
[M]-	329.96792858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe