CID 511965

Schembl3221505

Structural Information

Molecular Formula
C17H11FO6
SMILES
C1=CC(=CC=C1COC2=CC3=C(C=C2)OC(=C3O)C(=O)C(=O)O)F
InChI
InChI=1S/C17H11FO6/c18-10-3-1-9(2-4-10)8-23-11-5-6-13-12(7-11)14(19)16(24-13)15(20)17(21)22/h1-7,19H,8H2,(H,21,22)
InChIKey
CCQGHFYBCVBNFO-UHFFFAOYSA-N
Compound name
2-[5-[(4-fluorophenyl)methoxy]-3-hydroxy-1-benzofuran-2-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

330.05396 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06124 169.5
[M+Na]+ 353.04318 179.1
[M-H]- 329.04668 175.3
[M+NH4]+ 348.08778 183.4
[M+K]+ 369.01712 176.6
[M+H-H2O]+ 313.05122 162.1
[M+HCOO]- 375.05216 189.3
[M+CH3COO]- 389.06781 204.0
[M+Na-2H]- 351.02863 171.9
[M]+ 330.05341 174.1
[M]- 330.05451 174.1
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