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]+ 261.15730 159.5
[M+Na]+ 283.13924 165.0
[M-H]- 259.14274 159.6
[M+NH4]+ 278.18384 176.1
[M+K]+ 299.11318 162.6
[M+H-H2O]+ 243.14728 150.1
[M+HCOO]- 305.14822 178.8
[M+CH3COO]- 319.16387 205.9
[M+Na-2H]- 281.12469 161.1
[M]+ 260.14947 155.1
[M]- 260.15057 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.