CID 3009439

4-methyl-8h-thiopyrano[2,3-f]chromen-2-one

Structural Information

Molecular Formula
C13H10O2S
SMILES
CC1=CC(=O)SC2=C1C=CC3=C2C=CCO3
InChI
InChI=1S/C13H10O2S/c1-8-7-12(14)16-13-9(8)4-5-11-10(13)3-2-6-15-11/h2-5,7H,6H2,1H3
InChIKey
KOPOAHQQWUVXKA-UHFFFAOYSA-N
Compound name
4-methyl-8H-thiopyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.04015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04743 143.1
[M+Na]+ 253.02937 154.0
[M-H]- 229.03287 150.0
[M+NH4]+ 248.07397 163.1
[M+K]+ 269.00331 150.9
[M+H-H2O]+ 213.03741 137.3
[M+HCOO]- 275.03835 159.5
[M+CH3COO]- 289.05400 157.1
[M+Na-2H]- 251.01482 150.8
[M]+ 230.03960 146.9
[M]- 230.04070 146.9
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.