CID 100657253

7-(2-chloroacetyl)-4-methoxy-2,3-dihydro-1-benzofuran-3-one

Structural Information

Molecular Formula
C11H9ClO4
SMILES
COC1=C2C(=O)COC2=C(C=C1)C(=O)CCl
InChI
InChI=1S/C11H9ClO4/c1-15-9-3-2-6(7(13)4-12)11-10(9)8(14)5-16-11/h2-3H,4-5H2,1H3
InChIKey
NFGLLURJBWACGJ-UHFFFAOYSA-N
Compound name
7-(2-chloroacetyl)-4-methoxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01894 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.026216 147.2
[M+Na]+ 263.008158 157.8
[M-H]- 239.011664 153.0
[M+NH4]+ 258.052763 167.6
[M+K]+ 278.982098 155.4
[M+H-H2O]+ 223.016200 143.1
[M+HCOO]- 285.017141 165.0
[M+CH3COO]- 299.032791 189.7
[M+Na-2H]- 260.993606 151.4
[M]+ 240.01839142 153.5
[M]- 240.01948858 153.5
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.