CID 2780504

3-{5-[2-(trifluoromethyl)phenyl]-2-furyl}acrylic acid

Structural Information

Molecular Formula
C14H9F3O3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C=CC(=O)O)C(F)(F)F
InChI
InChI=1S/C14H9F3O3/c15-14(16,17)11-4-2-1-3-10(11)12-7-5-9(20-12)6-8-13(18)19/h1-8H,(H,18,19)
InChIKey
WWHMEYXWUKCAKU-UHFFFAOYSA-N
Compound name
3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

282.05038 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05766 157.8
[M+Na]+ 305.03960 166.8
[M-H]- 281.04310 160.6
[M+NH4]+ 300.08420 173.5
[M+K]+ 321.01354 163.2
[M+H-H2O]+ 265.04764 149.5
[M+HCOO]- 327.04858 175.9
[M+CH3COO]- 341.06423 194.2
[M+Na-2H]- 303.02505 160.4
[M]+ 282.04983 155.5
[M]- 282.05093 155.5
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