CID 83224130

2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methoxyacetic acid

Structural Information

Molecular Formula
C10H8F4O3
SMILES
COC(C1=CC(=CC(=C1)F)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H8F4O3/c1-17-8(9(15)16)5-2-6(10(12,13)14)4-7(11)3-5/h2-4,8H,1H3,(H,15,16)
InChIKey
FVCUATYNYXAZGF-UHFFFAOYSA-N
Compound name
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.04095 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04823 146.9
[M+Na]+ 275.03017 155.7
[M-H]- 251.03367 144.5
[M+NH4]+ 270.07477 163.4
[M+K]+ 291.00411 153.3
[M+H-H2O]+ 235.03821 138.3
[M+HCOO]- 297.03915 162.7
[M+CH3COO]- 311.05480 191.8
[M+Na-2H]- 273.01562 148.7
[M]+ 252.04040 143.0
[M]- 252.04150 143.0
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.