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]+ 241.02622 146.0
[M+Na]+ 263.00816 158.8
[M+NH4]+ 258.05276 154.1
[M+K]+ 278.98210 155.0
[M-H]- 239.01166 148.2
[M+Na-2H]- 260.99361 149.6
[M]+ 240.01839 148.6
[M]- 240.01949 148.6
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.