CID 16772763

N-(4-aminophenyl)-3,3,3-trifluoropropanamide hydrochloride

Structural Information

Molecular Formula
C9H9F3N2O
SMILES
C1=CC(=CC=C1N)NC(=O)CC(F)(F)F
InChI
InChI=1S/C9H9F3N2O/c10-9(11,12)5-8(15)14-7-3-1-6(13)2-4-7/h1-4H,5,13H2,(H,14,15)
InChIKey
VAQLIXWCOCIAST-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-3,3,3-trifluoropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

218.0667 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07398 145.7
[M+Na]+ 241.05592 152.7
[M+NH4]+ 236.10052 150.5
[M+K]+ 257.02986 148.6
[M-H]- 217.05942 142.9
[M+Na-2H]- 239.04137 149.3
[M]+ 218.06615 145.4
[M]- 218.06725 145.4
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