CID 1894881

300674-56-0

Structural Information

Molecular Formula
C20H19ClO5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3Cl)C(=O)OCCOC
InChI
InChI=1S/C20H19ClO5/c1-13-19(20(22)24-10-9-23-2)16-11-15(7-8-18(16)26-13)25-12-14-5-3-4-6-17(14)21/h3-8,11H,9-10,12H2,1-2H3
InChIKey
NDHGRJAMGDOYSM-UHFFFAOYSA-N
Compound name
2-methoxyethyl 5-[(2-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0921 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09938 186.3
[M+Na]+ 397.08132 196.7
[M-H]- 373.08482 195.4
[M+NH4]+ 392.12592 201.2
[M+K]+ 413.05526 193.2
[M+H-H2O]+ 357.08936 179.3
[M+HCOO]- 419.09030 205.2
[M+CH3COO]- 433.10595 215.2
[M+Na-2H]- 395.06677 188.8
[M]+ 374.09155 198.6
[M]- 374.09265 198.6
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.