CID 6051545

41744-27-8

Structural Information

Molecular Formula
C19H16O3
SMILES
C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3/b4-3+
InChIKey
SFFQJYFGYNAPSW-ONEGZZNKSA-N
Compound name
5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

292.10995 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 166.8
[M+Na]+ 315.09917 178.4
[M-H]- 291.10267 178.6
[M+NH4]+ 310.14377 184.7
[M+K]+ 331.07311 176.4
[M+H-H2O]+ 275.10721 162.2
[M+HCOO]- 337.10815 188.6
[M+CH3COO]- 351.12380 181.1
[M+Na-2H]- 313.08462 171.4
[M]+ 292.10940 173.8
[M]- 292.11050 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe