CID 5709339

2'-hydroxy-2-piperonylideneacetophenone

Structural Information

Molecular Formula
C16H12O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=CC=C3O
InChI
InChI=1S/C16H12O4/c17-13-4-2-1-3-12(13)14(18)7-5-11-6-8-15-16(9-11)20-10-19-15/h1-9,17H,10H2/b7-5+
InChIKey
CWSQRPNIIOUPKK-FNORWQNLSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

14
Patents

268.07355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 158.7
[M+Na]+ 291.06277 166.6
[M-H]- 267.06627 166.5
[M+NH4]+ 286.10737 174.4
[M+K]+ 307.03671 164.5
[M+H-H2O]+ 251.07081 152.5
[M+HCOO]- 313.07175 178.4
[M+CH3COO]- 327.08740 171.2
[M+Na-2H]- 289.04822 163.7
[M]+ 268.07300 160.5
[M]- 268.07410 160.5
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.