CID 5274461

2-phenylthieno[2,3-h]chromen-4-one

Structural Information

Molecular Formula
C17H10O2S
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)SC=C4
InChI
InChI=1S/C17H10O2S/c18-14-10-15(11-4-2-1-3-5-11)19-17-12(14)6-7-16-13(17)8-9-20-16/h1-10H
InChIKey
ZRBXNQPOJGGVDP-UHFFFAOYSA-N
Compound name
2-phenylthieno[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.04016 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04744 158.5
[M+Na]+ 301.02938 171.6
[M-H]- 277.03288 169.4
[M+NH4]+ 296.07398 178.3
[M+K]+ 317.00332 166.8
[M+H-H2O]+ 261.03742 152.6
[M+HCOO]- 323.03836 178.8
[M+CH3COO]- 337.05401 173.1
[M+Na-2H]- 299.01483 165.1
[M]+ 278.03961 164.9
[M]- 278.04071 164.9
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.