CID 979594

308297-40-7

Structural Information

Molecular Formula
C21H19FO5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)C3=CC=C(C=C3)F)C(=O)OC(C)C
InChI
InChI=1S/C21H19FO5/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
SQLXKACMRLRGMQ-UHFFFAOYSA-N
Compound name
propan-2-yl 5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12164 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12892 185.9
[M+Na]+ 393.11086 194.6
[M-H]- 369.11436 193.8
[M+NH4]+ 388.15546 199.7
[M+K]+ 409.08480 192.7
[M+H-H2O]+ 353.11890 177.6
[M+HCOO]- 415.11984 206.1
[M+CH3COO]- 429.13549 218.4
[M+Na-2H]- 391.09631 185.5
[M]+ 370.12109 193.3
[M]- 370.12219 193.3
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.