CID 6474294

Schembl7194724

Structural Information

Molecular Formula
C16H14O4
SMILES
CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=C(C=CC(=C2)O)O
InChI
InChI=1S/C16H14O4/c1-10-2-5-15(19)13(8-10)16(20)6-3-11-9-12(17)4-7-14(11)18/h2-9,17-19H,1H3/b6-3+
InChIKey
XRTLLAUYZSCUMA-ZZXKWVIFSA-N
Compound name
(E)-3-(2,5-dihydroxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

270.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.9
[M+Na]+ 293.07842 168.1
[M-H]- 269.08192 163.5
[M+NH4]+ 288.12302 174.5
[M+K]+ 309.05236 163.1
[M+H-H2O]+ 253.08646 153.4
[M+HCOO]- 315.08740 179.3
[M+CH3COO]- 329.10305 192.4
[M+Na-2H]- 291.06387 161.5
[M]+ 270.08865 159.4
[M]- 270.08975 159.4
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.