CID 979442

308297-35-0

Structural Information

Molecular Formula
C21H19ClO5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)OC(C)C
InChI
InChI=1S/C21H19ClO5/c1-12(2)26-21(24)20-13(3)27-19-9-8-16(10-17(19)20)25-11-18(23)14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3
InChIKey
USNHUCAQTGKBIM-UHFFFAOYSA-N
Compound name
propan-2-yl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0921 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09938 189.3
[M+Na]+ 409.08132 198.8
[M-H]- 385.08482 198.5
[M+NH4]+ 404.12592 203.5
[M+K]+ 425.05526 195.7
[M+H-H2O]+ 369.08936 182.7
[M+HCOO]- 431.09030 206.1
[M+CH3COO]- 445.10595 219.2
[M+Na-2H]- 407.06677 189.2
[M]+ 386.09155 200.2
[M]- 386.09265 200.2
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.