CID 54775942

886763-08-2

Structural Information

Molecular Formula
C11H14F3N
SMILES
CNCCCC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C11H14F3N/c1-15-8-4-6-9-5-2-3-7-10(9)11(12,13)14/h2-3,5,7,15H,4,6,8H2,1H3
InChIKey
WMPARHAXQOCYFB-UHFFFAOYSA-N
Compound name
N-methyl-3-[2-(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11511 145.4
[M+Na]+ 240.09705 152.8
[M-H]- 216.10055 145.0
[M+NH4]+ 235.14165 163.9
[M+K]+ 256.07099 149.4
[M+H-H2O]+ 200.10509 137.0
[M+HCOO]- 262.10603 165.6
[M+CH3COO]- 276.12168 191.3
[M+Na-2H]- 238.08250 150.9
[M]+ 217.10728 141.5
[M]- 217.10838 141.5
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.