CID 5702894

3-fluoro-4-(trifluoromethyl)cinnamic acid

Structural Information

Molecular Formula
C10H6F4O2
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O)F)C(F)(F)F
InChI
InChI=1S/C10H6F4O2/c11-8-5-6(2-4-9(15)16)1-3-7(8)10(12,13)14/h1-5H,(H,15,16)/b4-2+
InChIKey
LUEWWWLVURRLNN-DUXPYHPUSA-N
Compound name
(E)-3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

234.0304 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03768 156.5
[M+Na]+ 257.01962 163.9
[M+NH4]+ 252.06422 160.0
[M+K]+ 272.99356 159.3
[M-H]- 233.02312 151.0
[M+Na-2H]- 255.00507 158.2
[M]+ 234.02985 155.5
[M]- 234.03095 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