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

23
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

literature stripe

Patent stripe

patents stripe