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]+ 232.094376 147.6
[M+Na]+ 254.076318 154.7
[M-H]- 230.079824 147.4
[M+NH4]+ 249.120923 165.3
[M+K]+ 270.050258 152.3
[M+H-H2O]+ 214.084360 139.2
[M+HCOO]- 276.085301 166.2
[M+CH3COO]- 290.100951 193.4
[M+Na-2H]- 252.061766 150.7
[M]+ 231.08655142 143.0
[M]- 231.08764858 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

literature stripe

Patent stripe

patents stripe