CID 60795581

2-amino-2-[3-(trifluoromethyl)phenyl]propanamide

Structural Information

Molecular Formula
C10H11F3N2O
SMILES
CC(C1=CC(=CC=C1)C(F)(F)F)(C(=O)N)N
InChI
InChI=1S/C10H11F3N2O/c1-9(15,8(14)16)6-3-2-4-7(5-6)10(11,12)13/h2-5H,15H2,1H3,(H2,14,16)
InChIKey
UNGTZAKKKXQMGE-UHFFFAOYSA-N
Compound name
2-amino-2-[3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

232.08235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08963 146.9
[M+Na]+ 255.07157 154.2
[M-H]- 231.07507 145.9
[M+NH4]+ 250.11617 163.7
[M+K]+ 271.04551 151.3
[M+H-H2O]+ 215.07961 138.8
[M+HCOO]- 277.08055 164.9
[M+CH3COO]- 291.09620 194.4
[M+Na-2H]- 253.05702 150.8
[M]+ 232.08180 139.3
[M]- 232.08290 139.3
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

patents stripe