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 147.2
[M+Na]+ 263.00816 157.8
[M-H]- 239.01166 153.0
[M+NH4]+ 258.05276 167.6
[M+K]+ 278.98210 155.4
[M+H-H2O]+ 223.01620 143.1
[M+HCOO]- 285.01714 165.0
[M+CH3COO]- 299.03279 189.7
[M+Na-2H]- 260.99361 151.4
[M]+ 240.01839 153.5
[M]- 240.01949 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.