CID 2038507

137460-56-1

Structural Information

Molecular Formula
C19H18O4
SMILES
CCCCOC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
InChI
InChI=1S/C19H18O4/c1-2-3-11-21-15-9-10-16-17(12-15)22-13-18(19(16)20)23-14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3
InChIKey
WLKJGEUMYUUHII-UHFFFAOYSA-N
Compound name
7-butoxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

310.1205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 170.8
[M+Na]+ 333.10972 179.4
[M-H]- 309.11322 179.2
[M+NH4]+ 328.15432 185.1
[M+K]+ 349.08366 176.7
[M+H-H2O]+ 293.11776 161.9
[M+HCOO]- 355.11870 193.2
[M+CH3COO]- 369.13435 205.8
[M+Na-2H]- 331.09517 177.8
[M]+ 310.11995 176.9
[M]- 310.12105 176.9
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.