CID 3013132

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

Structural Information

Molecular Formula
C16H11FO3S
SMILES
COC1=CC2=C(C=C1)OC(=O)C=C2SC3=CC=CC=C3F
InChI
InChI=1S/C16H11FO3S/c1-19-10-6-7-13-11(8-10)15(9-16(18)20-13)21-14-5-3-2-4-12(14)17/h2-9H,1H3
InChIKey
DNEDFRDSPCYSFR-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)sulfanyl-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0413 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04858 163.2
[M+Na]+ 325.03052 174.5
[M-H]- 301.03402 171.3
[M+NH4]+ 320.07512 179.0
[M+K]+ 341.00446 170.6
[M+H-H2O]+ 285.03856 154.8
[M+HCOO]- 347.03950 180.7
[M+CH3COO]- 361.05515 176.2
[M+Na-2H]- 323.01597 168.0
[M]+ 302.04075 168.7
[M]- 302.04185 168.7
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.