CID 22918651

105175-40-4

Structural Information

Molecular Formula
C17H16O4
SMILES
CCCOC1=CC=C(C=C1)C2C3=C(C=CC(=C3)O)OC2=O
InChI
InChI=1S/C17H16O4/c1-2-9-20-13-6-3-11(4-7-13)16-14-10-12(18)5-8-15(14)21-17(16)19/h3-8,10,16,18H,2,9H2,1H3
InChIKey
ZUJQPYHJGXSZON-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-propoxyphenyl)-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

284.10486 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 163.1
[M+Na]+ 307.094078 172.1
[M-H]- 283.097584 170.7
[M+NH4]+ 302.138683 180.1
[M+K]+ 323.068018 169.1
[M+H-H2O]+ 267.102120 156.7
[M+HCOO]- 329.103061 184.2
[M+CH3COO]- 343.118711 198.6
[M+Na-2H]- 305.079526 166.8
[M]+ 284.10431142 166.8
[M]- 284.10540858 166.8
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

patents stripe