CID 855023

5-(4-methoxyphenyl)-2-furoic acid

Structural Information

Molecular Formula
C12H10O4
SMILES
COC1=CC=C(C=C1)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C12H10O4/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
YEBLYHKPTQJGEC-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

218.0579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 144.0
[M+Na]+ 241.047118 152.7
[M-H]- 217.050624 150.9
[M+NH4]+ 236.091723 162.3
[M+K]+ 257.021058 151.7
[M+H-H2O]+ 201.055160 138.1
[M+HCOO]- 263.056101 167.5
[M+CH3COO]- 277.071751 183.9
[M+Na-2H]- 239.032566 148.6
[M]+ 218.05735142 147.2
[M]- 218.05844858 147.2
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