CID 707811

10-(4-fluorophenyl)-7-methyl-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C22H13FO3
SMILES
CC1=C2C(=CC3=C1OC=C3C4=CC=C(C=C4)F)C5=CC=CC=C5C(=O)O2
InChI
InChI=1S/C22H13FO3/c1-12-20-18(19(11-25-20)13-6-8-14(23)9-7-13)10-17-15-4-2-3-5-16(15)22(24)26-21(12)17/h2-11H,1H3
InChIKey
IACZZJNCGOPXRZ-UHFFFAOYSA-N
Compound name
10-(4-fluorophenyl)-7-methyl-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.08487 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09215 178.9
[M+Na]+ 367.07409 193.8
[M-H]- 343.07759 190.6
[M+NH4]+ 362.11869 195.0
[M+K]+ 383.04803 189.1
[M+H-H2O]+ 327.08213 170.1
[M+HCOO]- 389.08307 200.6
[M+CH3COO]- 403.09872 192.7
[M+Na-2H]- 365.05954 185.9
[M]+ 344.08432 186.3
[M]- 344.08542 186.3
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.