CID 3013134

6-fluoro-4-(2-fluorophenyl)sulfanyl-chromen-2-one

Structural Information

Molecular Formula
C15H8F2O2S
SMILES
C1=CC=C(C(=C1)F)SC2=CC(=O)OC3=C2C=C(C=C3)F
InChI
InChI=1S/C15H8F2O2S/c16-9-5-6-12-10(7-9)14(8-15(18)19-12)20-13-4-2-1-3-11(13)17/h1-8H
InChIKey
CSPUJEOGSGSDQR-UHFFFAOYSA-N
Compound name
6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.0213 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02858 157.9
[M+Na]+ 313.01052 170.0
[M-H]- 289.01402 164.8
[M+NH4]+ 308.05512 174.2
[M+K]+ 328.98446 165.1
[M+H-H2O]+ 273.01856 149.0
[M+HCOO]- 335.01950 174.5
[M+CH3COO]- 349.03515 170.9
[M+Na-2H]- 310.99597 162.5
[M]+ 290.02075 160.6
[M]- 290.02185 160.6
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