CID 14077816

Haginin b

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=C(C=CC(=C1)O)C2=CC3=C(C=C(C=C3)O)OC2
InChI
InChI=1S/C16H14O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-8,17-18H,9H2,1H3
InChIKey
RMENXIMFGIVCHR-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methoxyphenyl)-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

270.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 158.8
[M+Na]+ 293.07842 167.6
[M-H]- 269.08192 165.2
[M+NH4]+ 288.12302 173.8
[M+K]+ 309.05236 164.7
[M+H-H2O]+ 253.08646 151.5
[M+HCOO]- 315.08740 177.7
[M+CH3COO]- 329.10305 171.0
[M+Na-2H]- 291.06387 165.1
[M]+ 270.08865 160.2
[M]- 270.08975 160.2
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