CID 24699996

N,n-dimethyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}aniline

Structural Information

Molecular Formula
C11H15F3N2
SMILES
CN(C)C1=CC=C(C=C1)CNCC(F)(F)F
InChI
InChI=1S/C11H15F3N2/c1-16(2)10-5-3-9(4-6-10)7-15-8-11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKey
LSEWHMCQBXZTEA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.11873 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12601 149.4
[M+Na]+ 255.10795 156.0
[M-H]- 231.11145 150.4
[M+NH4]+ 250.15255 167.6
[M+K]+ 271.08189 154.0
[M+H-H2O]+ 215.11599 140.3
[M+HCOO]- 277.11693 171.1
[M+CH3COO]- 291.13258 199.7
[M+Na-2H]- 253.09340 154.4
[M]+ 232.11818 146.0
[M]- 232.11928 146.0
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.