CID 510833

Bdbm50174510

Structural Information

Molecular Formula
C15H9FO5S
SMILES
C1C2=C(C3=C(O1)C=CC(=C3)F)SC(=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C15H9FO5S/c16-8-1-2-12-9(4-8)14-7(6-21-12)3-13(22-14)10(17)5-11(18)15(19)20/h1-4H,5-6H2,(H,19,20)
InChIKey
RGEDJPQWLKDMDY-UHFFFAOYSA-N
Compound name
4-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.01547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02275 166.7
[M+Na]+ 343.00469 174.9
[M-H]- 319.00819 170.4
[M+NH4]+ 338.04929 183.1
[M+K]+ 358.97863 172.5
[M+H-H2O]+ 303.01273 161.1
[M+HCOO]- 365.01367 178.3
[M+CH3COO]- 379.02932 203.1
[M+Na-2H]- 340.99014 167.2
[M]+ 320.01492 170.5
[M]- 320.01602 170.5
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.