CID 268208

3211-63-0

Structural Information

Molecular Formula
C18H14O4
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C18H14O4/c1-11-17(13-6-4-3-5-7-13)18(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3
InChIKey
DPIAJERHFDBLPT-UHFFFAOYSA-N
Compound name
(2-methyl-4-oxo-3-phenylchromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

27
Patents

294.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.096476 164.8
[M+Na]+ 317.078418 174.9
[M-H]- 293.081924 174.0
[M+NH4]+ 312.123023 180.1
[M+K]+ 333.052358 172.4
[M+H-H2O]+ 277.086460 156.7
[M+HCOO]- 339.087401 186.8
[M+CH3COO]- 353.103051 203.6
[M+Na-2H]- 315.063866 170.6
[M]+ 294.08865142 169.7
[M]- 294.08974858 169.7
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

patents stripe