CID 101721002

8-hydroxy-r-phenprocoumon

Structural Information

Molecular Formula
C18H16O4
SMILES
CC[C@H](C1=CC=CC=C1)C2=C(C3=C(C(=CC=C3)O)OC2=O)O
InChI
InChI=1S/C18H16O4/c1-2-12(11-7-4-3-5-8-11)15-16(20)13-9-6-10-14(19)17(13)22-18(15)21/h3-10,12,19-20H,2H2,1H3/t12-/m1/s1
InChIKey
DKNXIPNBVAVYAP-GFCCVEGCSA-N
Compound name
4,8-dihydroxy-3-[(1R)-1-phenylpropyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.6
[M+Na]+ 319.09408 175.4
[M-H]- 295.09758 173.0
[M+NH4]+ 314.13868 180.4
[M+K]+ 335.06802 171.9
[M+H-H2O]+ 279.10212 159.0
[M+HCOO]- 341.10306 185.3
[M+CH3COO]- 355.11871 200.3
[M+Na-2H]- 317.07953 171.5
[M]+ 296.10431 168.8
[M]- 296.10541 168.8
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.