CID 854728

9,10,11,12-tetrahydro-5h-benzo[c][1]benzofuro[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C19H14O3
SMILES
C1CCC2=C(C1)C3=C(O2)C=C4C(=C3)C5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C19H14O3/c20-19-13-7-2-1-5-11(13)14-9-15-12-6-3-4-8-16(12)21-17(15)10-18(14)22-19/h1-2,5,7,9-10H,3-4,6,8H2
InChIKey
BNSMRCMOJBAPPK-UHFFFAOYSA-N
Compound name
10,14-dioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),12,16,18,20-heptaen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10158 159.8
[M+Na]+ 313.08352 172.2
[M-H]- 289.08702 169.5
[M+NH4]+ 308.12812 178.9
[M+K]+ 329.05746 168.5
[M+H-H2O]+ 273.09156 152.8
[M+HCOO]- 335.09250 179.5
[M+CH3COO]- 349.10815 173.7
[M+Na-2H]- 311.06897 169.5
[M]+ 290.09375 165.0
[M]- 290.09485 165.0
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.