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]+ 218.115106 145.4
[M+Na]+ 240.097048 152.8
[M-H]- 216.100554 145.0
[M+NH4]+ 235.141653 163.9
[M+K]+ 256.070988 149.4
[M+H-H2O]+ 200.105090 137.0
[M+HCOO]- 262.106031 165.6
[M+CH3COO]- 276.121681 191.3
[M+Na-2H]- 238.082496 150.9
[M]+ 217.10728142 141.5
[M]- 217.10837858 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.