CID 15726097

Hoslundal

Structural Information

Molecular Formula
C18H14O5
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O)CC=O
InChI
InChI=1S/C18H14O5/c1-22-15-10-16-17(18(21)12(15)7-8-19)13(20)9-14(23-16)11-5-3-2-4-6-11/h2-6,8-10,21H,7H2,1H3
InChIKey
XGCZMWGDBJLFPV-UHFFFAOYSA-N
Compound name
2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.0
[M+Na]+ 333.07336 178.6
[M-H]- 309.07686 176.1
[M+NH4]+ 328.11796 182.1
[M+K]+ 349.04730 175.5
[M+H-H2O]+ 293.08140 159.9
[M+HCOO]- 355.08234 189.6
[M+CH3COO]- 369.09799 204.5
[M+Na-2H]- 331.05881 173.9
[M]+ 310.08359 173.7
[M]- 310.08469 173.7
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