CID 708271

5010-53-7

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H14O4/c1-11-16(17(18)19)14-9-13(7-8-15(14)21-11)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
InChIKey
YYQFBUCGMUABMK-UHFFFAOYSA-N
Compound name
2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

282.0892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.9
[M+Na]+ 305.07842 171.6
[M-H]- 281.08192 170.0
[M+NH4]+ 300.12302 178.8
[M+K]+ 321.05236 168.9
[M+H-H2O]+ 265.08646 155.3
[M+HCOO]- 327.08740 184.9
[M+CH3COO]- 341.10305 197.7
[M+Na-2H]- 303.06387 166.8
[M]+ 282.08865 167.4
[M]- 282.08975 167.4
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

No patent data available for this compound.