CID 282461

3-(4-fluorophenyl)-3-methylnaphtho(1,2-c)furan-1(3h)-one

Structural Information

Molecular Formula
C19H13FO2
SMILES
CC1(C2=C(C3=CC=CC=C3C=C2)C(=O)O1)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H13FO2/c1-19(13-7-9-14(20)10-8-13)16-11-6-12-4-2-3-5-15(12)17(16)18(21)22-19/h2-11H,1H3
InChIKey
BHHPKBQKYNWANS-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-3-methylbenzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

292.08997 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09725 165.4
[M+Na]+ 315.07919 176.8
[M-H]- 291.08269 174.3
[M+NH4]+ 310.12379 185.6
[M+K]+ 331.05313 171.8
[M+H-H2O]+ 275.08723 157.3
[M+HCOO]- 337.08817 185.5
[M+CH3COO]- 351.10382 178.6
[M+Na-2H]- 313.06464 170.9
[M]+ 292.08942 166.6
[M]- 292.09052 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.