CID 3040641

52742-18-4

Structural Information

Molecular Formula
C14H20F3N
SMILES
CCCCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C14H20F3N/c1-3-4-8-18-11(2)9-12-6-5-7-13(10-12)14(15,16)17/h5-7,10-11,18H,3-4,8-9H2,1-2H3
InChIKey
VCYPVYLZISLFHR-UHFFFAOYSA-N
Compound name
N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.1548 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16208 159.8
[M+Na]+ 282.14402 165.5
[M-H]- 258.14752 158.8
[M+NH4]+ 277.18862 176.5
[M+K]+ 298.11796 161.9
[M+H-H2O]+ 242.15206 150.8
[M+HCOO]- 304.15300 177.8
[M+CH3COO]- 318.16865 201.2
[M+Na-2H]- 280.12947 162.3
[M]+ 259.15425 156.3
[M]- 259.15535 156.3
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