CID 3011133

2-(3,4-dichlorophenyl)-6-methylsulfonyl-chromane

Structural Information

Molecular Formula
C16H14Cl2O3S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)OC(CC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl2O3S/c1-22(19,20)12-4-7-16-10(8-12)3-6-15(21-16)11-2-5-13(17)14(18)9-11/h2,4-5,7-9,15H,3,6H2,1H3
InChIKey
BDHSDBJFYZHQIB-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-6-methylsulfonyl-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.00406 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.01134 174.5
[M+Na]+ 378.99328 185.0
[M-H]- 354.99678 182.8
[M+NH4]+ 374.03788 189.5
[M+K]+ 394.96722 179.7
[M+H-H2O]+ 339.00132 169.4
[M+HCOO]- 401.00226 179.3
[M+CH3COO]- 415.01791 185.9
[M+Na-2H]- 376.97873 178.0
[M]+ 356.00351 180.5
[M]- 356.00461 180.5
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.