CID 62492425

2,2-difluoro-2-(2-fluorophenyl)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

190.02417 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.031446 132.3
[M+Na]+ 213.013388 141.2
[M-H]- 189.016894 131.2
[M+NH4]+ 208.057993 151.2
[M+K]+ 228.987328 138.7
[M+H-H2O]+ 173.021430 125.0
[M+HCOO]- 235.022371 150.6
[M+CH3COO]- 249.038021 179.4
[M+Na-2H]- 210.998836 137.6
[M]+ 190.02362142 127.8
[M]- 190.02471858 127.8
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