CID 776315

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

Structural Information

Molecular Formula
C12H10O4
SMILES
COC1=CC=CC=C1C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
CHWVDGYLKPLBES-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

14
Patents

218.0579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 144.0
[M+Na]+ 241.04712 152.7
[M-H]- 217.05062 150.9
[M+NH4]+ 236.09172 162.3
[M+K]+ 257.02106 151.7
[M+H-H2O]+ 201.05516 138.1
[M+HCOO]- 263.05610 167.5
[M+CH3COO]- 277.07175 183.9
[M+Na-2H]- 239.03257 148.6
[M]+ 218.05735 147.2
[M]- 218.05845 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

literature stripe

Patent stripe

patents stripe