CID 580491

5-(phenoxymethyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C12H10O4
SMILES
C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O
InChI
InChI=1S/C12H10O4/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChIKey
KPSLIMYRDNBEGK-UHFFFAOYSA-N
Compound name
5-(phenoxymethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

218.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 144.5
[M+Na]+ 241.04712 152.2
[M-H]- 217.05062 151.0
[M+NH4]+ 236.09172 162.4
[M+K]+ 257.02106 151.2
[M+H-H2O]+ 201.05516 138.3
[M+HCOO]- 263.05610 168.0
[M+CH3COO]- 277.07175 182.7
[M+Na-2H]- 239.03257 149.7
[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