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]+ 317.979416 148.8
[M+Na]+ 339.961358 160.0
[M-H]- 315.964864 156.7
[M+NH4]+ 335.005963 168.1
[M+K]+ 355.935298 148.8
[M+H-H2O]+ 299.969400 149.2
[M+HCOO]- 361.970341 162.0
[M+CH3COO]- 375.985991 195.8
[M+Na-2H]- 337.946806 153.8
[M]+ 316.97159142 167.2
[M]- 316.97268858 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.