CID 21837232

2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid

Structural Information

Molecular Formula
C10H9F3O3
SMILES
C1=CC=C(C=C1)C(C(=O)O)OCC(F)(F)F
InChI
InChI=1S/C10H9F3O3/c11-10(12,13)6-16-8(9(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,14,15)
InChIKey
LEPUWBXPJLLGGA-UHFFFAOYSA-N
Compound name
2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

234.05038 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 145.6
[M+Na]+ 257.03960 152.4
[M-H]- 233.04310 143.8
[M+NH4]+ 252.08420 162.3
[M+K]+ 273.01354 150.4
[M+H-H2O]+ 217.04764 137.4
[M+HCOO]- 279.04858 162.4
[M+CH3COO]- 293.06423 186.5
[M+Na-2H]- 255.02505 149.3
[M]+ 234.04983 142.2
[M]- 234.05093 142.2
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