CID 364375

Nsc630434

Structural Information

Molecular Formula
C21H15FO2
SMILES
CC1=C2CCC3(C2=CC=C1)C4=C(C5=CC=CC=C5C(=C4)F)C(=O)O3
InChI
InChI=1S/C21H15FO2/c1-12-5-4-8-16-13(12)9-10-21(16)17-11-18(22)14-6-2-3-7-15(14)19(17)20(23)24-21/h2-8,11H,9-10H2,1H3
InChIKey
VHGVZXIRHZGWNV-UHFFFAOYSA-N
Compound name
5'-fluoro-7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10562 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11290 173.4
[M+Na]+ 341.09484 185.7
[M-H]- 317.09834 182.6
[M+NH4]+ 336.13944 196.0
[M+K]+ 357.06878 179.4
[M+H-H2O]+ 301.10288 166.4
[M+HCOO]- 363.10382 191.8
[M+CH3COO]- 377.11947 186.3
[M+Na-2H]- 339.08029 176.2
[M]+ 318.10507 174.6
[M]- 318.10617 174.6
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.