CID 442546

2',4',6'-trihydroxy-3'-formyldihydrochalcone

Structural Information

Molecular Formula
C16H14O5
SMILES
C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C(=C2O)C=O)O)O
InChI
InChI=1S/C16H14O5/c17-9-11-13(19)8-14(20)15(16(11)21)12(18)7-6-10-4-2-1-3-5-10/h1-5,8-9,19-21H,6-7H2
InChIKey
SDPWTOSPDBDEBQ-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-3-(3-phenylpropanoyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

286.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.6
[M+Na]+ 309.07336 170.4
[M-H]- 285.07686 166.0
[M+NH4]+ 304.11796 176.3
[M+K]+ 325.04730 166.1
[M+H-H2O]+ 269.08140 155.6
[M+HCOO]- 331.08234 182.1
[M+CH3COO]- 345.09799 195.3
[M+Na-2H]- 307.05881 164.2
[M]+ 286.08359 163.5
[M]- 286.08469 163.5
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