CID 3013126

4-(2,4-difluorophenyl)sulfanyl-6-fluoro-chromen-2-one

Structural Information

Molecular Formula
C15H7F3O2S
SMILES
C1=CC2=C(C=C1F)C(=CC(=O)O2)SC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C15H7F3O2S/c16-8-1-3-12-10(5-8)14(7-15(19)20-12)21-13-4-2-9(17)6-11(13)18/h1-7H
InChIKey
SNMKNWVNQFBLSQ-UHFFFAOYSA-N
Compound name
4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.01187 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01915 161.0
[M+Na]+ 331.00109 173.9
[M-H]- 307.00459 166.8
[M+NH4]+ 326.04569 176.8
[M+K]+ 346.97503 168.6
[M+H-H2O]+ 291.00913 151.2
[M+HCOO]- 353.01007 176.4
[M+CH3COO]- 367.02572 173.7
[M+Na-2H]- 328.98654 164.3
[M]+ 308.01132 163.1
[M]- 308.01242 163.1
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

patents stripe