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]+ 240.06889 148.7
[M+Na]+ 262.05083 157.1
[M-H]- 238.05433 154.2
[M+NH4]+ 257.09543 167.3
[M+K]+ 278.02477 153.7
[M+H-H2O]+ 222.05887 142.0
[M+HCOO]- 284.05981 164.6
[M+CH3COO]- 298.07546 186.1
[M+Na-2H]- 260.03628 152.5
[M]+ 239.06106 148.7
[M]- 239.06216 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.