CID 10545445

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

Structural Information

Molecular Formula
C17H13BrO3
SMILES
CC1=C(OC2=C1C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13BrO3/c1-10-14-8-7-13(20-2)9-15(14)21-17(10)16(19)11-3-5-12(18)6-4-11/h3-9H,1-2H3
InChIKey
MVTBBXGKCXOCST-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.00482 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.01210 173.0
[M+Na]+ 366.99404 186.6
[M-H]- 342.99754 184.8
[M+NH4]+ 362.03864 192.1
[M+K]+ 382.96798 176.5
[M+H-H2O]+ 327.00208 172.7
[M+HCOO]- 389.00302 194.6
[M+CH3COO]- 403.01867 207.8
[M+Na-2H]- 364.97949 178.0
[M]+ 344.00427 197.4
[M]- 344.00537 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.