CID 3013136

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

Structural Information

Molecular Formula
C15H8ClFO2S
SMILES
C1=CC=C(C(=C1)SC2=CC(=O)OC3=C2C=C(C=C3)F)Cl
InChI
InChI=1S/C15H8ClFO2S/c16-11-3-1-2-4-13(11)20-14-8-15(18)19-12-6-5-9(17)7-10(12)14/h1-8H
InChIKey
MCPXFQNABJOVJV-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)sulfanyl-6-fluorochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.99176 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99904 160.9
[M+Na]+ 328.98098 173.6
[M-H]- 304.98448 169.1
[M+NH4]+ 324.02558 177.6
[M+K]+ 344.95492 167.8
[M+H-H2O]+ 288.98902 153.9
[M+HCOO]- 350.98996 174.0
[M+CH3COO]- 365.00561 174.2
[M+Na-2H]- 326.96643 165.7
[M]+ 305.99121 166.9
[M]- 305.99231 166.9
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.