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]+ 243.04187 147.8
[M+Na]+ 265.02381 159.3
[M-H]- 241.02731 153.8
[M+NH4]+ 260.06841 168.6
[M+K]+ 280.99775 157.1
[M+H-H2O]+ 225.03185 143.8
[M+HCOO]- 287.03279 166.4
[M+CH3COO]- 301.04844 190.9
[M+Na-2H]- 263.00926 152.6
[M]+ 242.03404 155.8
[M]- 242.03514 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.