CID 5354669

Nsc640536

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=C(C=CC(=C1)C(=O)/C=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C16H14O4/c1-20-16-10-12(7-9-15(16)19)14(18)8-6-11-4-2-3-5-13(11)17/h2-10,17,19H,1H3/b8-6+
InChIKey
OXGAITGZSZZRGR-SOFGYWHQSA-N
Compound name
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

270.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.8
[M+Na]+ 293.07842 167.5
[M-H]- 269.08192 164.4
[M+NH4]+ 288.12302 174.8
[M+K]+ 309.05236 163.2
[M+H-H2O]+ 253.08646 152.8
[M+HCOO]- 315.08740 180.8
[M+CH3COO]- 329.10305 193.4
[M+Na-2H]- 291.06387 162.6
[M]+ 270.08865 160.7
[M]- 270.08975 160.7
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