CID 5748063

Brn 4266587

Structural Information

Molecular Formula
C18H14O5
SMILES
CC(=O)C1=C(C=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3OC)O
InChI
InChI=1S/C18H14O5/c1-10(19)12-7-13-15(21)9-17(23-18(13)8-14(12)20)11-5-3-4-6-16(11)22-2/h3-9,20H,1-2H3
InChIKey
XHFNHOCSZINNFR-UHFFFAOYSA-N
Compound name
6-acetyl-7-hydroxy-2-(2-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.091416 167.8
[M+Na]+ 333.073358 178.0
[M-H]- 309.076864 176.0
[M+NH4]+ 328.117963 181.8
[M+K]+ 349.047298 175.6
[M+H-H2O]+ 293.081400 159.9
[M+HCOO]- 355.082341 188.4
[M+CH3COO]- 369.097991 205.5
[M+Na-2H]- 331.058806 172.6
[M]+ 310.08359142 172.9
[M]- 310.08468858 172.9
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.