CID 43581613

1155535-71-9

Structural Information

Molecular Formula
C11H13NO3S
SMILES
C1CS(=O)(=O)CCN1C2=CC=CC=C2C=O
InChI
InChI=1S/C11H13NO3S/c13-9-10-3-1-2-4-11(10)12-5-7-16(14,15)8-6-12/h1-4,9H,5-8H2
InChIKey
MBBMBONWUFRDQA-UHFFFAOYSA-N
Compound name
2-(1,1-dioxo-1,4-thiazinan-4-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.068886 148.7
[M+Na]+ 262.050828 157.1
[M-H]- 238.054334 154.2
[M+NH4]+ 257.095433 167.3
[M+K]+ 278.024768 153.7
[M+H-H2O]+ 222.058870 142.0
[M+HCOO]- 284.059811 164.6
[M+CH3COO]- 298.075461 186.1
[M+Na-2H]- 260.036276 152.5
[M]+ 239.06106142 148.7
[M]- 239.06215858 148.7
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.