CID 3057522

74051-11-9

Structural Information

Molecular Formula
C14H20F3N
SMILES
CCN(CC)C(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C14H20F3N/c1-4-18(5-2)11(3)9-12-7-6-8-13(10-12)14(15,16)17/h6-8,10-11H,4-5,9H2,1-3H3
InChIKey
HXSLLQIYINIVQP-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.1548 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16208 159.5
[M+Na]+ 282.14402 165.4
[M-H]- 258.14752 160.1
[M+NH4]+ 277.18862 176.8
[M+K]+ 298.11796 163.2
[M+H-H2O]+ 242.15206 150.3
[M+HCOO]- 304.15300 178.1
[M+CH3COO]- 318.16865 204.7
[M+Na-2H]- 280.12947 161.3
[M]+ 259.15425 157.3
[M]- 259.15535 157.3
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