CID 16788367

{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}dimethylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.11873 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.126006 150.0
[M+Na]+ 255.107948 156.4
[M-H]- 231.111454 150.6
[M+NH4]+ 250.152553 167.8
[M+K]+ 271.081888 154.5
[M+H-H2O]+ 215.115990 141.0
[M+HCOO]- 277.116931 170.0
[M+CH3COO]- 291.132581 199.9
[M+Na-2H]- 253.093396 152.7
[M]+ 232.11818142 144.9
[M]- 232.11927858 144.9
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

patents stripe