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

5
Patents

212.02402 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03130 141.9
[M+Na]+ 235.01324 151.5
[M-H]- 211.01674 146.1
[M+NH4]+ 230.05784 162.6
[M+K]+ 250.98718 148.4
[M+H-H2O]+ 195.02128 138.1
[M+HCOO]- 257.02222 158.2
[M+CH3COO]- 271.03787 181.7
[M+Na-2H]- 232.99869 146.7
[M]+ 212.02347 144.9
[M]- 212.02457 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