CID 128209

102830-69-3

Structural Information

Molecular Formula
C15H13Cl2NO3S
SMILES
CS(=O)(=O)C1=CC2=C(N=C1)OC(CC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H13Cl2NO3S/c1-22(19,20)11-6-10-3-5-14(21-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3
InChIKey
PLUZLNCQMIQXML-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

356.99933 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.00661 174.3
[M+Na]+ 379.98855 185.2
[M-H]- 355.99205 181.3
[M+NH4]+ 375.03315 187.9
[M+K]+ 395.96249 180.0
[M+H-H2O]+ 339.99659 168.3
[M+HCOO]- 401.99753 178.1
[M+CH3COO]- 416.01318 185.4
[M+Na-2H]- 377.97400 178.1
[M]+ 356.99878 180.3
[M]- 356.99988 180.3
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