CID 680352

Brn 3616880

Structural Information

Molecular Formula
C20H16O3
SMILES
C1COC2=C(C=C(C=C2)C(=O)C3=CC4=CC=CC=C4C=C3)OC1
InChI
InChI=1S/C20H16O3/c21-20(16-7-6-14-4-1-2-5-15(14)12-16)17-8-9-18-19(13-17)23-11-3-10-22-18/h1-2,4-9,12-13H,3,10-11H2
InChIKey
FBSZULXZPXLAOG-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(naphthalen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.10995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 167.3
[M+Na]+ 327.09917 173.1
[M-H]- 303.10267 177.5
[M+NH4]+ 322.14377 180.3
[M+K]+ 343.07311 174.8
[M+H-H2O]+ 287.10721 161.5
[M+HCOO]- 349.10815 183.9
[M+CH3COO]- 363.12380 178.3
[M+Na-2H]- 325.08462 174.4
[M]+ 304.10940 164.9
[M]- 304.11050 164.9
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

No patent data available for this compound.