CID 366757

3-oxo-n-[2-(trifluoromethyl)phenyl]butanamide

Structural Information

Molecular Formula
C11H10F3NO2
SMILES
CC(=O)CC(=O)NC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C11H10F3NO2/c1-7(16)6-10(17)15-9-5-3-2-4-8(9)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKey
VATRWWPJWVCZTA-UHFFFAOYSA-N
Compound name
3-oxo-N-[2-(trifluoromethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36170
Patents

245.06636 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07364 149.3
[M+Na]+ 268.05558 156.6
[M-H]- 244.05908 149.1
[M+NH4]+ 263.10018 166.3
[M+K]+ 284.02952 154.1
[M+H-H2O]+ 228.06362 140.8
[M+HCOO]- 290.06456 168.3
[M+CH3COO]- 304.08021 194.6
[M+Na-2H]- 266.04103 152.5
[M]+ 245.06581 145.5
[M]- 245.06691 145.5
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