CID 23320891

5-bromo-3-ethyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H9BrO3
SMILES
CCC1=C(OC2=C1C=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C11H9BrO3/c1-2-7-8-5-6(12)3-4-9(8)15-10(7)11(13)14/h3-5H,2H2,1H3,(H,13,14)
InChIKey
FTQXVWZXFFMHDP-UHFFFAOYSA-N
Compound name
5-bromo-3-ethyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

267.9735 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.98078 151.0
[M+Na]+ 290.96272 164.9
[M-H]- 266.96622 158.6
[M+NH4]+ 286.00732 172.6
[M+K]+ 306.93666 154.8
[M+H-H2O]+ 250.97076 151.9
[M+HCOO]- 312.97170 171.8
[M+CH3COO]- 326.98735 191.4
[M+Na-2H]- 288.94817 157.5
[M]+ 267.97295 173.7
[M]- 267.97405 173.7
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