CID 49768021

2-(2,6-difluorophenyl)-3-(2-furylmethyl)-1,3-thiazinan-4-one

Structural Information

Molecular Formula
C15H13F2NO2S
SMILES
C1CSC(N(C1=O)CC2=CC=CO2)C3=C(C=CC=C3F)F
InChI
InChI=1S/C15H13F2NO2S/c16-11-4-1-5-12(17)14(11)15-18(13(19)6-8-21-15)9-10-3-2-7-20-10/h1-5,7,15H,6,8-9H2
InChIKey
WYYRCROGTKMGSY-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(furan-2-ylmethyl)-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.0635 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07078 166.3
[M+Na]+ 332.05272 175.5
[M-H]- 308.05622 173.3
[M+NH4]+ 327.09732 181.0
[M+K]+ 348.02666 171.2
[M+H-H2O]+ 292.06076 157.2
[M+HCOO]- 354.06170 179.9
[M+CH3COO]- 368.07735 177.7
[M+Na-2H]- 330.03817 164.4
[M]+ 309.06295 165.0
[M]- 309.06405 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.