CID 2812790

5-phenoxyfuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H8O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(O2)C(=O)O
InChI
InChI=1S/C11H8O4/c12-11(13)9-6-7-10(15-9)14-8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
QQKXTFLRAZKJJO-UHFFFAOYSA-N
Compound name
5-phenoxyfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

204.04225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 139.7
[M+Na]+ 227.03147 147.9
[M-H]- 203.03497 146.4
[M+NH4]+ 222.07607 158.2
[M+K]+ 243.00541 147.1
[M+H-H2O]+ 187.03951 133.7
[M+HCOO]- 249.04045 163.6
[M+CH3COO]- 263.05610 179.7
[M+Na-2H]- 225.01692 145.5
[M]+ 204.04170 142.1
[M]- 204.04280 142.1
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