CID 61398274

2-[3-(2,2,2-trifluoroethoxy)phenyl]acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

234.05038 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 152.7
[M+Na]+ 257.03960 160.7
[M+NH4]+ 252.08420 157.1
[M+K]+ 273.01354 156.5
[M-H]- 233.04310 148.3
[M+Na-2H]- 255.02505 155.5
[M]+ 234.04983 152.2
[M]- 234.05093 152.2
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