CID 4460364

5-(chloromethyl)meconin

Structural Information

Molecular Formula
C11H11ClO4
SMILES
COC1=C(C=C2COC(=O)C2=C1OC)CCl
InChI
InChI=1S/C11H11ClO4/c1-14-9-6(4-12)3-7-5-16-11(13)8(7)10(9)15-2/h3H,4-5H2,1-2H3
InChIKey
RSIMRXASOOWZDV-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03459 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.041866 147.8
[M+Na]+ 265.023808 159.3
[M-H]- 241.027314 153.8
[M+NH4]+ 260.068413 168.6
[M+K]+ 280.997748 157.1
[M+H-H2O]+ 225.031850 143.8
[M+HCOO]- 287.032791 166.4
[M+CH3COO]- 301.048441 190.9
[M+Na-2H]- 263.009256 152.6
[M]+ 242.03404142 155.8
[M]- 242.03513858 155.8
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.