CID 384618

319-76-6

Structural Information

Molecular Formula

C₁₂H₁₁F₃N₂O

SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(F)(F)F

InChI

InChI=1S/C12H11F3N2O/c13-12(14,15)11(18)16-6-5-8-7-17-10-4-2-1-3-9(8)10/h1-4,7,17H,5-6H2,(H,16,18)

InChIKey

KDFCROJYVJQVQK-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 14
Patents: 256.08234 Da
Monoisotopic Mass: 2.9
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]+	257.08962	152.3
[M+Na]+	279.07156	161.1
[M-H]-	255.07506	150.6
[M+NH4]+	274.11616	169.9
[M+K]+	295.04550	156.0
[M+H-H2O]+	239.07960	143.4
[M+HCOO]-	301.08054	170.8
[M+CH3COO]-	315.09619	192.7
[M+Na-2H]-	277.05701	157.6
[M]+	256.08179	148.6
[M]-	256.08289	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe