CID 769178

164526-07-2

Structural Information

Molecular Formula
C15H11ClO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H11ClO3/c16-12-4-2-1-3-11(12)15(17)10-5-6-13-14(9-10)19-8-7-18-13/h1-6,9H,7-8H2
InChIKey
ZYMLUQLZIRHDPQ-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.03967 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.046946 158.3
[M+Na]+ 297.028888 166.6
[M-H]- 273.032394 166.9
[M+NH4]+ 292.073493 173.4
[M+K]+ 313.002828 164.2
[M+H-H2O]+ 257.036930 151.4
[M+HCOO]- 319.037871 172.6
[M+CH3COO]- 333.053521 170.7
[M+Na-2H]- 295.014336 165.3
[M]+ 274.03912142 160.9
[M]- 274.04021858 160.9
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.