CID 64030330

1-(3-amino-1,2,3,4-tetrahydroquinolin-1-yl)-2,2,2-trifluoroethan-1-one hydrochloride

Structural Information

Molecular Formula
C11H11F3N2O
SMILES
C1C(CN(C2=CC=CC=C21)C(=O)C(F)(F)F)N
InChI
InChI=1S/C11H11F3N2O/c12-11(13,14)10(17)16-6-8(15)5-7-3-1-2-4-9(7)16/h1-4,8H,5-6,15H2
InChIKey
GKMDYWDXNPTOEE-UHFFFAOYSA-N
Compound name
1-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08235 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08963 150.8
[M+Na]+ 267.07157 158.6
[M-H]- 243.07507 149.4
[M+NH4]+ 262.11617 167.5
[M+K]+ 283.04551 154.7
[M+H-H2O]+ 227.07961 141.7
[M+HCOO]- 289.08055 165.4
[M+CH3COO]- 303.09620 193.9
[M+Na-2H]- 265.05702 154.9
[M]+ 244.08180 142.9
[M]- 244.08290 142.9
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.