CID 5480675

6,7-dihydroxy-2-phenylthiochromen-4-one

Structural Information

Molecular Formula
C15H10O3S
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3S2)O)O
InChI
InChI=1S/C15H10O3S/c16-11-7-14(9-4-2-1-3-5-9)19-15-8-13(18)12(17)6-10(11)15/h1-8,17-18H
InChIKey
BHHOFNJMOMYBMU-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-2-phenylthiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

270.03506 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04234 155.3
[M+Na]+ 293.02428 165.9
[M-H]- 269.02778 161.5
[M+NH4]+ 288.06888 172.3
[M+K]+ 308.99822 159.8
[M+H-H2O]+ 253.03232 149.0
[M+HCOO]- 315.03326 171.9
[M+CH3COO]- 329.04891 167.9
[M+Na-2H]- 291.00973 160.0
[M]+ 270.03451 157.5
[M]- 270.03561 157.5
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

patents stripe