CID 43581845

1155541-29-9

Structural Information

Molecular Formula
C11H12BrNO3S
SMILES
C1CS(=O)(=O)CCN1C(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H12BrNO3S/c12-10-3-1-2-9(8-10)11(14)13-4-6-17(15,16)7-5-13/h1-3,8H,4-7H2
InChIKey
DCOGRILSVJBVGX-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.97214 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.