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]+ 275.04695 158.3
[M+Na]+ 297.02889 166.6
[M-H]- 273.03239 166.9
[M+NH4]+ 292.07349 173.4
[M+K]+ 313.00283 164.2
[M+H-H2O]+ 257.03693 151.4
[M+HCOO]- 319.03787 172.6
[M+CH3COO]- 333.05352 170.7
[M+Na-2H]- 295.01434 165.3
[M]+ 274.03912 160.9
[M]- 274.04022 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.