CID 43147857

2580189-51-9

Structural Information

Molecular Formula
C11H12F3NO2
SMILES
COC(=O)CC(C1=CC=CC=C1C(F)(F)F)N
InChI
InChI=1S/C11H12F3NO2/c1-17-10(16)6-9(15)7-4-2-3-5-8(7)11(12,13)14/h2-5,9H,6,15H2,1H3
InChIKey
YDOJADAEHIWPGC-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08202 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08930 155.7
[M+Na]+ 270.07124 162.7
[M+NH4]+ 265.11584 160.1
[M+K]+ 286.04518 159.0
[M-H]- 246.07474 152.0
[M+Na-2H]- 268.05669 158.3
[M]+ 247.08147 155.2
[M]- 247.08257 155.2
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

No patent data available for this compound.