CID 372506

Nsc647622

Structural Information

Molecular Formula
C21H13FO3
SMILES
CC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)F
InChI
InChI=1S/C21H13FO3/c1-12-6-9-18-17(10-12)21(16-8-7-13(22)11-19(16)24-18)15-5-3-2-4-14(15)20(23)25-21/h2-11H,1H3
InChIKey
OGYJVSRSQAENOM-UHFFFAOYSA-N
Compound name
6'-fluoro-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08487 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09215 175.0
[M+Na]+ 355.07409 187.4
[M-H]- 331.07759 184.6
[M+NH4]+ 350.11869 193.7
[M+K]+ 371.04803 183.0
[M+H-H2O]+ 315.08213 166.2
[M+HCOO]- 377.08307 191.6
[M+CH3COO]- 391.09872 187.6
[M+Na-2H]- 353.05954 181.2
[M]+ 332.08432 177.2
[M]- 332.08542 177.2
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.