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]+ 233.126006 149.4
[M+Na]+ 255.107948 156.0
[M-H]- 231.111454 150.4
[M+NH4]+ 250.152553 167.6
[M+K]+ 271.081888 154.0
[M+H-H2O]+ 215.115990 140.3
[M+HCOO]- 277.116931 171.1
[M+CH3COO]- 291.132581 199.7
[M+Na-2H]- 253.093396 154.4
[M]+ 232.11818142 146.0
[M]- 232.11927858 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.