CID 464208

6-hydroxy-2-phenylthiochromen-4-one

Structural Information

Molecular Formula
C15H10O2S
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(S2)C=CC(=C3)O
InChI
InChI=1S/C15H10O2S/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
InChIKey
LQTSLXMQDGCFMH-UHFFFAOYSA-N
Compound name
6-hydroxy-2-phenylthiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.04015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04743 151.8
[M+Na]+ 277.02937 162.3
[M-H]- 253.03287 159.1
[M+NH4]+ 272.07397 170.1
[M+K]+ 293.00331 156.4
[M+H-H2O]+ 237.03741 145.3
[M+HCOO]- 299.03835 169.9
[M+CH3COO]- 313.05400 165.0
[M+Na-2H]- 275.01482 157.5
[M]+ 254.03960 153.9
[M]- 254.04070 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.