CID 10022321

(4-bromophenyl)(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone

Structural Information

Molecular Formula
C18H15BrO4
SMILES
CC1=C(OC2=C1C(=CC(=C2)OC)OC)C(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H15BrO4/c1-10-16-14(22-3)8-13(21-2)9-15(16)23-18(10)17(20)11-4-6-12(19)7-5-11/h4-9H,1-3H3
InChIKey
LTDQGCFMTVHZKP-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1412
Patents

374.01538 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.022656 180.0
[M+Na]+ 397.004598 193.6
[M-H]- 373.008104 191.9
[M+NH4]+ 392.049203 198.0
[M+K]+ 412.978538 184.0
[M+H-H2O]+ 357.012640 179.3
[M+HCOO]- 419.013581 201.2
[M+CH3COO]- 433.029231 213.7
[M+Na-2H]- 394.990046 183.8
[M]+ 374.01483142 206.3
[M]- 374.01592858 206.3
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