CID 2782447

4,5,5-trifluoropent-4-enoic acid

Structural Information

Molecular Formula
C5H5F3O2
SMILES
C(CC(=O)O)C(=C(F)F)F
InChI
InChI=1S/C5H5F3O2/c6-3(5(7)8)1-2-4(9)10/h1-2H2,(H,9,10)
InChIKey
YWHZHTHRRXAUFQ-UHFFFAOYSA-N
Compound name
4,5,5-trifluoropent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

154.02417 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03145 135.2
[M+Na]+ 177.01339 141.2
[M+NH4]+ 172.05799 139.4
[M+K]+ 192.98733 138.1
[M-H]- 153.01689 128.7
[M+Na-2H]- 174.99884 135.1
[M]+ 154.02362 133.5
[M]- 154.02472 133.5
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