CID 100838

58763-73-8

Structural Information

Molecular Formula
C11H9BrO3
SMILES
COC(=O)C1=C(C2=CC=CC=C2O1)CBr
InChI
InChI=1S/C11H9BrO3/c1-14-11(13)10-8(6-12)7-4-2-3-5-9(7)15-10/h2-5H,6H2,1H3
InChIKey
DUXQSFDZZHXQGM-UHFFFAOYSA-N
Compound name
methyl 3-(bromomethyl)-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

267.9735 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 150.9
[M+Na]+ 290.96272 164.5
[M-H]- 266.96622 159.5
[M+NH4]+ 286.00732 173.0
[M+K]+ 306.93666 155.3
[M+H-H2O]+ 250.97076 151.6
[M+HCOO]- 312.97170 173.2
[M+CH3COO]- 326.98735 192.0
[M+Na-2H]- 288.94817 158.5
[M]+ 267.97295 175.0
[M]- 267.97405 175.0
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