CID 834826

5-[2-(trifluoromethoxy)phenyl]-2-furoic acid

Structural Information

Molecular Formula
C12H7F3O4
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)O)OC(F)(F)F
InChI
InChI=1S/C12H7F3O4/c13-12(14,15)19-9-4-2-1-3-7(9)8-5-6-10(18-8)11(16)17/h1-6H,(H,16,17)
InChIKey
PSLFQKRPFOCZHR-UHFFFAOYSA-N
Compound name
5-[2-(trifluoromethoxy)phenyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

272.02963 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03691 152.0
[M+Na]+ 295.01885 161.3
[M-H]- 271.02235 155.0
[M+NH4]+ 290.06345 168.0
[M+K]+ 310.99279 159.4
[M+H-H2O]+ 255.02689 143.8
[M+HCOO]- 317.02783 170.7
[M+CH3COO]- 331.04348 191.8
[M+Na-2H]- 293.00430 155.8
[M]+ 272.02908 151.2
[M]- 272.03018 151.2
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