CID 43581847

867333-26-4

Structural Information

Molecular Formula

C₁₁H₁₂BrNO₃S

SMILES

C1CS(=O)(=O)CCN1C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H12BrNO3S/c12-10-3-1-9(2-4-10)11(14)13-5-7-17(15,16)8-6-13/h1-4H,5-8H2

InChIKey

JZVOMFPVZJBLRG-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 316.97214 Da
Monoisotopic Mass: 1.2
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]+	317.97942	148.8
[M+Na]+	339.96136	160.0
[M-H]-	315.96486	156.7
[M+NH4]+	335.00596	168.1
[M+K]+	355.93530	148.8
[M+H-H2O]+	299.96940	149.2
[M+HCOO]-	361.97034	162.0
[M+CH3COO]-	375.98599	195.8
[M+Na-2H]-	337.94681	153.8
[M]+	316.97159	167.2
[M]-	316.97269	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe