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

2
Patents

296.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.4
[M+Na]+ 319.09408 172.6
[M-H]- 295.09758 174.8
[M+NH4]+ 314.13868 183.3
[M+K]+ 335.06802 171.1
[M+H-H2O]+ 279.10212 161.3
[M+HCOO]- 341.10306 183.2
[M+CH3COO]- 355.11871 178.0
[M+Na-2H]- 317.07953 168.0
[M]+ 296.10431 167.2
[M]- 296.10541 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