CID 514902

102830-70-6

Structural Information

Molecular Formula
C15H13Cl2NO2S
SMILES
CS(=O)C1=CC2=C(N=C1)OC(CC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H13Cl2NO2S/c1-21(19)11-6-10-3-5-14(20-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3
InChIKey
MYBDTGDPCIIJEQ-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

341.0044 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01168 169.4
[M+Na]+ 363.99362 179.6
[M-H]- 339.99712 176.0
[M+NH4]+ 359.03822 183.5
[M+K]+ 379.96756 174.3
[M+H-H2O]+ 324.00166 163.3
[M+HCOO]- 386.00260 173.3
[M+CH3COO]- 400.01825 180.5
[M+Na-2H]- 361.97907 171.2
[M]+ 341.00385 174.6
[M]- 341.00495 174.6
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

patents stripe