CID 38514

40552-64-5

Structural Information

Molecular Formula
C12H14F3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)C
InChI
InChI=1S/C12H14F3NO/c1-8(16-9(2)17)6-10-4-3-5-11(7-10)12(13,14)15/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKey
ZVKARXLKNIBGIR-UHFFFAOYSA-N
Compound name
N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

245.10275 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.110026 152.3
[M+Na]+ 268.091968 159.0
[M-H]- 244.095474 152.0
[M+NH4]+ 263.136573 169.5
[M+K]+ 284.065908 156.3
[M+H-H2O]+ 228.100010 143.8
[M+HCOO]- 290.100951 170.6
[M+CH3COO]- 304.116601 196.4
[M+Na-2H]- 266.077416 154.9
[M]+ 245.10220142 148.2
[M]- 245.10329858 148.2
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