CID 132992788

1463457-51-3

Structural Information

Molecular Formula
C10H9BrO3
SMILES
COC(=O)C1CC2=C(O1)C=CC(=C2)Br
InChI
InChI=1S/C10H9BrO3/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-4,9H,5H2,1H3
InChIKey
VQTZTTWQSQRVDK-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

255.97351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98079 149.4
[M+Na]+ 278.96273 161.5
[M-H]- 254.96623 157.4
[M+NH4]+ 274.00733 171.7
[M+K]+ 294.93667 152.8
[M+H-H2O]+ 238.97077 150.3
[M+HCOO]- 300.97171 169.3
[M+CH3COO]- 314.98736 189.8
[M+Na-2H]- 276.94818 155.7
[M]+ 255.97296 170.4
[M]- 255.97406 170.4
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