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
1
Annotation Hits

11
References

17
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

literature stripe

Patent stripe

patents stripe