CID 1757066

3-(4-chlorophenyl)-5-propyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C20H15ClO3
SMILES
CCCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15ClO3/c1-2-3-13-8-20(22)24-19-10-18-16(9-15(13)19)17(11-23-18)12-4-6-14(21)7-5-12/h4-11H,2-3H2,1H3
InChIKey
MZGDDQSYUXRICG-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-propylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07098 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07826 178.4
[M+Na]+ 361.06020 191.9
[M-H]- 337.06370 189.5
[M+NH4]+ 356.10480 194.8
[M+K]+ 377.03414 187.1
[M+H-H2O]+ 321.06824 171.8
[M+HCOO]- 383.06918 196.5
[M+CH3COO]- 397.08483 192.0
[M+Na-2H]- 359.04565 184.0
[M]+ 338.07043 188.2
[M]- 338.07153 188.2
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.