CID 155970242

2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid

Structural Information

Molecular Formula
C9H4F6O2
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)C(C(=O)O)(F)F
InChI
InChI=1S/C9H4F6O2/c10-6-2-4(8(11,12)7(16)17)1-5(3-6)9(13,14)15/h1-3H,(H,16,17)
InChIKey
RBAPACVKUFJQEI-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.01154 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01882 167.9
[M+Na]+ 281.00076 172.4
[M+NH4]+ 276.04536 169.4
[M+K]+ 296.97470 169.1
[M-H]- 257.00426 160.4
[M+Na-2H]- 278.98621 167.6
[M]+ 258.01099 166.0
[M]- 258.01209 166.0
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.