CID 1811048

49545-71-3

Structural Information

Molecular Formula
C18H14O3
SMILES
C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)C4=CC=CC=C41
InChI
InChI=1S/C18H14O3/c19-18-14(7-6-13-3-1-2-4-15(13)18)9-12-5-8-16-17(10-12)21-11-20-16/h1-5,8-10H,6-7,11H2/b14-9+
InChIKey
ZSWFGLVDMKTZIO-NTEUORMPSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.0943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 160.9
[M+Na]+ 301.08352 169.0
[M-H]- 277.08702 170.5
[M+NH4]+ 296.12812 177.9
[M+K]+ 317.05746 166.0
[M+H-H2O]+ 261.09156 154.1
[M+HCOO]- 323.09250 179.0
[M+CH3COO]- 337.10815 173.3
[M+Na-2H]- 299.06897 166.1
[M]+ 278.09375 160.4
[M]- 278.09485 160.4
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

patents stripe