CID 60772127

1496794-11-6

Structural Information

Molecular Formula
C14H13BrO4
SMILES
CCOC(=O)C1=CC=C(C=C1)OCC2=CC=C(O2)Br
InChI
InChI=1S/C14H13BrO4/c1-2-17-14(16)10-3-5-11(6-4-10)18-9-12-7-8-13(15)19-12/h3-8H,2,9H2,1H3
InChIKey
BHWJLHPHXNBRJC-UHFFFAOYSA-N
Compound name
ethyl 4-[(5-bromofuran-2-yl)methoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.99973 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.00701 166.8
[M+Na]+ 346.98895 177.8
[M-H]- 322.99245 176.8
[M+NH4]+ 342.03355 185.2
[M+K]+ 362.96289 168.8
[M+H-H2O]+ 306.99699 166.1
[M+HCOO]- 368.99793 188.4
[M+CH3COO]- 383.01358 200.9
[M+Na-2H]- 344.97440 171.3
[M]+ 323.99918 190.5
[M]- 324.00028 190.5
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.