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

6
Patents

282.05038 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.057656 157.8
[M+Na]+ 305.039598 166.8
[M-H]- 281.043104 160.6
[M+NH4]+ 300.084203 173.5
[M+K]+ 321.013538 163.2
[M+H-H2O]+ 265.047640 149.5
[M+HCOO]- 327.048581 175.9
[M+CH3COO]- 341.064231 194.2
[M+Na-2H]- 303.025046 160.4
[M]+ 282.04983142 155.5
[M]- 282.05092858 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