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

24
Patents

232.08235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.089626 146.9
[M+Na]+ 255.071568 154.2
[M-H]- 231.075074 145.9
[M+NH4]+ 250.116173 163.7
[M+K]+ 271.045508 151.3
[M+H-H2O]+ 215.079610 138.8
[M+HCOO]- 277.080551 164.9
[M+CH3COO]- 291.096201 194.4
[M+Na-2H]- 253.057016 150.8
[M]+ 232.08180142 139.3
[M]- 232.08289858 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