CID 137264

1939-27-1

Structural Information

Molecular Formula
C11H12F3NO
SMILES
CC(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
InChIKey
GETMKVRSDFVVHL-UHFFFAOYSA-N
Compound name
2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

123
Patents

231.0871 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09438 147.6
[M+Na]+ 254.07632 154.7
[M-H]- 230.07982 147.4
[M+NH4]+ 249.12092 165.3
[M+K]+ 270.05026 152.3
[M+H-H2O]+ 214.08436 139.2
[M+HCOO]- 276.08530 166.2
[M+CH3COO]- 290.10095 193.4
[M+Na-2H]- 252.06177 150.7
[M]+ 231.08655 143.0
[M]- 231.08765 143.0
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.