CID 16795423

{2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}diethylamine

Structural Information

Molecular Formula
C13H19F3N2
SMILES
CCN(CC)C(CN)C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C13H19F3N2/c1-3-18(4-2)12(9-17)10-5-7-11(8-6-10)13(14,15)16/h5-8,12H,3-4,9,17H2,1-2H3
InChIKey
RDIPAVQWDCEASO-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15002 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.157296 159.5
[M+Na]+ 283.139238 165.0
[M-H]- 259.142744 159.6
[M+NH4]+ 278.183843 176.1
[M+K]+ 299.113178 162.6
[M+H-H2O]+ 243.147280 150.1
[M+HCOO]- 305.148221 178.8
[M+CH3COO]- 319.163871 205.9
[M+Na-2H]- 281.124686 161.1
[M]+ 260.14947142 155.1
[M]- 260.15056858 155.1
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.