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 143.6
[M+Na]+ 247.01324 155.7
[M-H]- 223.01674 148.7
[M+NH4]+ 242.05784 164.4
[M+K]+ 262.98718 152.1
[M+H-H2O]+ 207.02128 139.8
[M+HCOO]- 269.02222 162.4
[M+CH3COO]- 283.03787 185.3
[M+Na-2H]- 244.99869 149.1
[M]+ 224.02347 150.2
[M]- 224.02457 150.2
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.