CID 65574413

2734906-46-6

Structural Information

Molecular Formula

C₁₀H₈F₃N

SMILES

C#CC(C1=CC(=CC=C1)C(F)(F)F)N

InChI

InChI=1S/C10H8F3N/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h1,3-6,9H,14H2

InChIKey

XOQKJWUTBVOTNZ-UHFFFAOYSA-N

Compound name

1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.06088 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.06816	140.7
[M+Na]+	222.05010	150.3
[M-H]-	198.05360	138.8
[M+NH4]+	217.09470	157.2
[M+K]+	238.02404	146.0
[M+H-H2O]+	182.05814	127.0
[M+HCOO]-	244.05908	154.3
[M+CH3COO]-	258.07473	194.3
[M+Na-2H]-	220.03555	143.4
[M]+	199.06033	129.2
[M]-	199.06143	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe