CID 62136514

1457920-56-7

Structural Information

Molecular Formula
C12H13F4NO2
SMILES
CC1=C(C=CC(=C1)F)C(C(=O)OC)NCC(F)(F)F
InChI
InChI=1S/C12H13F4NO2/c1-7-5-8(13)3-4-9(7)10(11(18)19-2)17-6-12(14,15)16/h3-5,10,17H,6H2,1-2H3
InChIKey
ABVZCTPSWAQDRY-UHFFFAOYSA-N
Compound name
methyl 2-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08823 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09551 157.9
[M+Na]+ 302.07745 165.5
[M-H]- 278.08095 156.5
[M+NH4]+ 297.12205 173.8
[M+K]+ 318.05139 162.9
[M+H-H2O]+ 262.08549 148.4
[M+HCOO]- 324.08643 175.2
[M+CH3COO]- 338.10208 202.5
[M+Na-2H]- 300.06290 159.2
[M]+ 279.08768 154.3
[M]- 279.08878 154.3
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.