CID 746394

8-methyl-4-oxo-3-phenoxy-4h-chromen-7-yl acetate

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C18H14O5/c1-11-15(22-12(2)19)9-8-14-17(20)16(10-21-18(11)14)23-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
BQOVZBXEZLTNJL-UHFFFAOYSA-N
Compound name
(8-methyl-4-oxo-3-phenoxychromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.091416 167.8
[M+Na]+ 333.073358 177.7
[M-H]- 309.076864 177.1
[M+NH4]+ 328.117963 182.3
[M+K]+ 349.047298 176.0
[M+H-H2O]+ 293.081400 159.4
[M+HCOO]- 355.082341 190.0
[M+CH3COO]- 369.097991 205.8
[M+Na-2H]- 331.058806 173.7
[M]+ 310.08359142 174.2
[M]- 310.08468858 174.2
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.