CID 130750039

Methyl 4-bromo-2,3-dihydro-1-benzofuran-7-carboxylate

Structural Information

Molecular Formula
C10H9BrO3
SMILES
COC(=O)C1=C2C(=C(C=C1)Br)CCO2
InChI
InChI=1S/C10H9BrO3/c1-13-10(12)7-2-3-8(11)6-4-5-14-9(6)7/h2-3H,4-5H2,1H3
InChIKey
JIYGVWAQCAFVCJ-UHFFFAOYSA-N
Compound name
methyl 4-bromo-2,3-dihydro-1-benzofuran-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

No literature data available for this compound.

Patent stripe

patents stripe