CID 86811718

Methyl 7-bromo-1-benzofuran-4-carboxylate

Structural Information

Molecular Formula
C10H7BrO3
SMILES
COC(=O)C1=C2C=COC2=C(C=C1)Br
InChI
InChI=1S/C10H7BrO3/c1-13-10(12)7-2-3-8(11)9-6(7)4-5-14-9/h2-5H,1H3
InChIKey
XKYGLUQPFPPWTD-UHFFFAOYSA-N
Compound name
methyl 7-bromo-1-benzofuran-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.95786 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96514 144.6
[M+Na]+ 276.94708 148.8
[M+NH4]+ 271.99168 149.6
[M+K]+ 292.92102 150.7
[M-H]- 252.95058 146.0
[M+Na-2H]- 274.93253 147.3
[M]+ 253.95731 144.4
[M]- 253.95841 144.4
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

patents stripe