CID 22312719

2-(3,5-difluorophenyl)-2-fluoroacetic acid

Structural Information

Molecular Formula
C8H5F3O2
SMILES
C1=C(C=C(C=C1F)F)C(C(=O)O)F
InChI
InChI=1S/C8H5F3O2/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7H,(H,12,13)
InChIKey
MZVNGSGHYLFNHX-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

190.02417 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03145 141.3
[M+Na]+ 213.01339 150.3
[M+NH4]+ 208.05799 146.6
[M+K]+ 228.98733 145.9
[M-H]- 189.01689 137.8
[M+Na-2H]- 210.99884 144.5
[M]+ 190.02362 141.2
[M]- 190.02472 141.2
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