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

277
Patents

234.05038 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057656 145.6
[M+Na]+ 257.039598 152.4
[M-H]- 233.043104 143.8
[M+NH4]+ 252.084203 162.3
[M+K]+ 273.013538 150.4
[M+H-H2O]+ 217.047640 137.4
[M+HCOO]- 279.048581 162.4
[M+CH3COO]- 293.064231 186.5
[M+Na-2H]- 255.025046 149.3
[M]+ 234.04983142 142.2
[M]- 234.05092858 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