CID 24728623

2-bromo-1-(1,1-dioxidothiomorpholino)ethanone

Structural Information

Molecular Formula
C6H10BrNO3S
SMILES
C1CS(=O)(=O)CCN1C(=O)CBr
InChI
InChI=1S/C6H10BrNO3S/c7-5-6(9)8-1-3-12(10,11)4-2-8/h1-5H2
InChIKey
SDEXRDKFFRNZMZ-UHFFFAOYSA-N
Compound name
2-bromo-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

254.95648 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96376 132.6
[M+Na]+ 277.94570 144.0
[M-H]- 253.94920 137.7
[M+NH4]+ 272.99030 154.4
[M+K]+ 293.91964 133.7
[M+H-H2O]+ 237.95374 134.1
[M+HCOO]- 299.95468 145.8
[M+CH3COO]- 313.97033 184.8
[M+Na-2H]- 275.93115 138.3
[M]+ 254.95593 151.2
[M]- 254.95703 151.2
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

patents stripe