CID 165744047

2138186-02-2

Structural Information

Molecular Formula
C10H8BrClO3
SMILES
COC(=O)C1CC2=C(O1)C(=CC(=C2)Cl)Br
InChI
InChI=1S/C10H8BrClO3/c1-14-10(13)8-3-5-2-6(12)4-7(11)9(5)15-8/h2,4,8H,3H2,1H3
InChIKey
YMQPCAVFLCZBMX-UHFFFAOYSA-N
Compound name
methyl 7-bromo-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.93454 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.94182 154.8
[M+Na]+ 312.92376 168.8
[M-H]- 288.92726 163.1
[M+NH4]+ 307.96836 177.0
[M+K]+ 328.89770 158.0
[M+H-H2O]+ 272.93180 156.6
[M+HCOO]- 334.93274 170.3
[M+CH3COO]- 348.94839 194.4
[M+Na-2H]- 310.90921 160.2
[M]+ 289.93399 178.0
[M]- 289.93509 178.0
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

No patent data available for this compound.