CID 69307806

2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)acetic acid

Structural Information

Molecular Formula
C10H9ClO3
SMILES
C1C2=C(C=CC(=C2)Cl)C(O1)CC(=O)O
InChI
InChI=1S/C10H9ClO3/c11-7-1-2-8-6(3-7)5-14-9(8)4-10(12)13/h1-3,9H,4-5H2,(H,12,13)
InChIKey
LYPABKILTVLNSU-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,3-dihydro-2-benzofuran-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

212.02402 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 141.9
[M+Na]+ 235.013238 151.5
[M-H]- 211.016744 146.1
[M+NH4]+ 230.057843 162.6
[M+K]+ 250.987178 148.4
[M+H-H2O]+ 195.021280 138.1
[M+HCOO]- 257.022221 158.2
[M+CH3COO]- 271.037871 181.7
[M+Na-2H]- 232.998686 146.7
[M]+ 212.02347142 144.9
[M]- 212.02456858 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