CID 42607725

3,4,4',alpha-tetrahydroxy-2'-methoxydihydrochalcone

Structural Information

Molecular Formula
C16H16O6
SMILES
COC1=C(C=CC(=C1)O)C(=O)C(CC2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C16H16O6/c1-22-15-8-10(17)3-4-11(15)16(21)14(20)7-9-2-5-12(18)13(19)6-9/h2-6,8,14,17-20H,7H2,1H3
InChIKey
BNOLOXUNKKENIR-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-2-hydroxy-1-(4-hydroxy-2-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0947 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 166.8
[M+Na]+ 327.08392 173.3
[M-H]- 303.08742 168.8
[M+NH4]+ 322.12852 178.9
[M+K]+ 343.05786 170.2
[M+H-H2O]+ 287.09196 159.8
[M+HCOO]- 349.09290 183.7
[M+CH3COO]- 363.10855 197.2
[M+Na-2H]- 325.06937 166.8
[M]+ 304.09415 167.5
[M]- 304.09525 167.5
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.