CID 2761104

886497-39-8

Structural Information

Molecular Formula
C18H16O4
SMILES
C1COC2=C1C=C(C=C2)C(C3=CC4=C(C=C3)OCC4)C(=O)O
InChI
InChI=1S/C18H16O4/c19-18(20)17(13-1-3-15-11(9-13)5-7-21-15)14-2-4-16-12(10-14)6-8-22-16/h1-4,9-10,17H,5-8H2,(H,19,20)
InChIKey
JUTNUKDMWFXDBG-UHFFFAOYSA-N
Compound name
2,2-bis(2,3-dihydro-1-benzofuran-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.112136 166.4
[M+Na]+ 319.094078 172.6
[M-H]- 295.097584 174.8
[M+NH4]+ 314.138683 183.3
[M+K]+ 335.068018 171.1
[M+H-H2O]+ 279.102120 161.3
[M+HCOO]- 341.103061 183.2
[M+CH3COO]- 355.118711 178.0
[M+Na-2H]- 317.079526 168.0
[M]+ 296.10431142 167.2
[M]- 296.10540858 167.2
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

patents stripe