CID 81036837

2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid

Structural Information

Molecular Formula
C11H9ClO3
SMILES
CC1=C2C(=C(C=C1)Cl)C(=CO2)CC(=O)O
InChI
InChI=1S/C11H9ClO3/c1-6-2-3-8(12)10-7(4-9(13)14)5-15-11(6)10/h2-3,5H,4H2,1H3,(H,13,14)
InChIKey
ZERYFPHKYRCZNE-UHFFFAOYSA-N
Compound name
2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02402 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03130 142.5
[M+Na]+ 247.01324 157.1
[M+NH4]+ 242.05784 151.2
[M+K]+ 262.98718 152.7
[M-H]- 223.01674 145.4
[M+Na-2H]- 244.99869 147.9
[M]+ 224.02347 145.7
[M]- 224.02457 145.7
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

No patent data available for this compound.