CID 81827960

2-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C10H5F5O2
SMILES
C1=CC(=C(C=C1/C=C(/C(=O)O)\F)C(F)(F)F)F
InChI
InChI=1S/C10H5F5O2/c11-7-2-1-5(4-8(12)9(16)17)3-6(7)10(13,14)15/h1-4H,(H,16,17)/b8-4-
InChIKey
LAMSHLIGIFXYJZ-YWEYNIOJSA-N
Compound name
(Z)-2-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02097 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02825 145.4
[M+Na]+ 275.01019 154.7
[M-H]- 251.01369 141.7
[M+NH4]+ 270.05479 161.9
[M+K]+ 290.98413 150.7
[M+H-H2O]+ 235.01823 136.2
[M+HCOO]- 297.01917 160.0
[M+CH3COO]- 311.03482 191.0
[M+Na-2H]- 272.99564 146.6
[M]+ 252.02042 138.0
[M]- 252.02152 138.0
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

No patent data available for this compound.