CID 54689812

Microfarin

Structural Information

Molecular Formula
C19H16O4
SMILES
C=C(CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)O
InChI
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,20-21H,1,11H2
InChIKey
BBOSKMPTDUUMKL-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-hydroxy-1-phenylbut-3-enyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 170.0
[M+Na]+ 331.09408 177.4
[M-H]- 307.09758 175.9
[M+NH4]+ 326.13868 182.7
[M+K]+ 347.06802 173.5
[M+H-H2O]+ 291.10212 162.2
[M+HCOO]- 353.10306 187.6
[M+CH3COO]- 367.11871 202.3
[M+Na-2H]- 329.07953 173.9
[M]+ 308.10431 170.7
[M]- 308.10541 170.7
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

patents stripe