CID 49756668

7-bromo-5-methyl-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C10H7BrO3
SMILES
CC1=CC2=C(C(=C1)Br)OC(=C2)C(=O)O
InChI
InChI=1S/C10H7BrO3/c1-5-2-6-4-8(10(12)13)14-9(6)7(11)3-5/h2-4H,1H3,(H,12,13)
InChIKey
LUUUKOAVOYDJGJ-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.95786 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96514 145.2
[M+Na]+ 276.94708 149.3
[M+NH4]+ 271.99168 149.9
[M+K]+ 292.92102 151.6
[M-H]- 252.95058 146.3
[M+Na-2H]- 274.93253 147.2
[M]+ 253.95731 144.9
[M]- 253.95841 144.9
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