CID 60796446

2243507-43-7

Structural Information

Molecular Formula
C11H12F3NO2
SMILES
CC(C1=CC=C(C=C1)C(F)(F)F)(C(=O)OC)N
InChI
InChI=1S/C11H12F3NO2/c1-10(15,9(16)17-2)7-3-5-8(6-4-7)11(12,13)14/h3-6H,15H2,1-2H3
InChIKey
YLEREJIVAJYLLU-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-[4-(trifluoromethyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08202 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08930 150.7
[M+Na]+ 270.07124 158.4
[M-H]- 246.07474 150.2
[M+NH4]+ 265.11584 167.6
[M+K]+ 286.04518 156.2
[M+H-H2O]+ 230.07928 142.7
[M+HCOO]- 292.08022 168.3
[M+CH3COO]- 306.09587 194.4
[M+Na-2H]- 268.05669 154.9
[M]+ 247.08147 146.6
[M]- 247.08257 146.6
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.