CID 3013135

4-(2,5-dichlorophenyl)sulfanyl-6-fluoro-chromen-2-one

Structural Information

Molecular Formula
C15H7Cl2FO2S
SMILES
C1=CC2=C(C=C1F)C(=CC(=O)O2)SC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H7Cl2FO2S/c16-8-1-3-11(17)14(5-8)21-13-7-15(19)20-12-4-2-9(18)6-10(12)13/h1-7H
InChIKey
DSQZOMUKXCPTQJ-UHFFFAOYSA-N
Compound name
4-(2,5-dichlorophenyl)sulfanyl-6-fluorochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.9528 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.96008 166.1
[M+Na]+ 362.94202 179.8
[M-H]- 338.94552 173.9
[M+NH4]+ 357.98662 182.2
[M+K]+ 378.91596 173.3
[M+H-H2O]+ 322.95006 160.1
[M+HCOO]- 384.95100 174.2
[M+CH3COO]- 398.96665 178.9
[M+Na-2H]- 360.92747 169.6
[M]+ 339.95225 173.9
[M]- 339.95335 173.9
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.