CID 2892083

315237-29-7

Structural Information

Molecular Formula
C15H15BrO6
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OC(C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C15H15BrO6/c1-7-13(15(18)20-4)9-5-12(10(16)6-11(9)21-7)22-8(2)14(17)19-3/h5-6,8H,1-4H3
InChIKey
STGOEODCCWKNNK-UHFFFAOYSA-N
Compound name
methyl 6-bromo-5-(1-methoxy-1-oxopropan-2-yl)oxy-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

370.0052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01248 174.9
[M+Na]+ 392.99442 187.3
[M-H]- 368.99792 183.5
[M+NH4]+ 388.03902 192.9
[M+K]+ 408.96836 179.5
[M+H-H2O]+ 353.00246 174.7
[M+HCOO]- 415.00340 194.4
[M+CH3COO]- 429.01905 211.9
[M+Na-2H]- 390.97987 177.3
[M]+ 370.00465 202.9
[M]- 370.00575 202.9
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

patents stripe