CID 44259965

Pollenitin

Structural Information

Molecular Formula
C16H12O7
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O7/c1-22-10-6-9(18)11-13(20)14(21)15(23-16(11)12(10)19)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3
InChIKey
VRODWQGSCHPDJK-UHFFFAOYSA-N
Compound name
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

316.0583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 168.4
[M+Na]+ 339.04752 183.4
[M+NH4]+ 334.09212 174.2
[M+K]+ 355.02146 179.1
[M-H]- 315.05102 171.8
[M+Na-2H]- 337.03297 173.2
[M]+ 316.05775 171.4
[M]- 316.05885 171.4
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