CID 283339

2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenylacetic acid

Structural Information

Molecular Formula
C9H3F7O2
SMILES
C(C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F)C(=O)O
InChI
InChI=1S/C9H3F7O2/c10-5-2(1-3(17)18)6(11)8(13)4(7(5)12)9(14,15)16/h1H2,(H,17,18)
InChIKey
XFHNUTKYNIQKJU-UHFFFAOYSA-N
Compound name
2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.00214 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00942 146.7
[M+Na]+ 298.99136 159.0
[M-H]- 274.99486 141.4
[M+NH4]+ 294.03596 162.8
[M+K]+ 314.96530 154.6
[M+H-H2O]+ 258.99940 136.2
[M+HCOO]- 321.00034 160.1
[M+CH3COO]- 335.01599 198.3
[M+Na-2H]- 296.97681 146.3
[M]+ 276.00159 138.7
[M]- 276.00269 138.7
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