CID 3049686

N,n-diethyl-3-(3-(trifluoromethyl)phenyl)-2-propyn-1-amine hydrochloride

Structural Information

Molecular Formula
C14H16F3N
SMILES
CCN(CC)CC#CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C14H16F3N/c1-3-18(4-2)10-6-8-12-7-5-9-13(11-12)14(15,16)17/h5,7,9,11H,3-4,10H2,1-2H3
InChIKey
WAPGOJZFLCMHDQ-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

255.12349 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13077 155.4
[M+Na]+ 278.11271 164.1
[M-H]- 254.11621 154.6
[M+NH4]+ 273.15731 170.9
[M+K]+ 294.08665 159.8
[M+H-H2O]+ 238.12075 140.6
[M+HCOO]- 300.12169 169.7
[M+CH3COO]- 314.13734 206.9
[M+Na-2H]- 276.09816 157.7
[M]+ 255.12294 147.6
[M]- 255.12404 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe