CID 677886

101018-99-9

Structural Information

Molecular Formula
C15H11BrO3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrO3/c16-12-4-1-10(2-5-12)15(17)11-3-6-13-14(9-11)19-8-7-18-13/h1-6,9H,7-8H2
InChIKey
SGJFGWWIHHLCTG-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

317.98917 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99645 157.7
[M+Na]+ 340.97839 163.4
[M+NH4]+ 336.02299 163.1
[M+K]+ 356.95233 162.8
[M-H]- 316.98189 163.0
[M+Na-2H]- 338.96384 162.1
[M]+ 317.98862 159.0
[M]- 317.98972 159.0
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