CID 13712150

2044744-71-8

Structural Information

Molecular Formula
C11H11F3N2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(F)(F)F)CCN
InChI
InChI=1S/C11H11F3N2/c12-11(13,14)10-8(5-6-15)7-3-1-2-4-9(7)16-10/h1-4,16H,5-6,15H2
InChIKey
VJXSSONPAKTNMF-UHFFFAOYSA-N
Compound name
2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.08743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09471 145.5
[M+Na]+ 251.07665 155.7
[M-H]- 227.08015 143.8
[M+NH4]+ 246.12125 164.5
[M+K]+ 267.05059 150.1
[M+H-H2O]+ 211.08469 137.1
[M+HCOO]- 273.08563 164.3
[M+CH3COO]- 287.10128 188.9
[M+Na-2H]- 249.06210 150.8
[M]+ 228.08688 140.9
[M]- 228.08798 140.9
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

No patent data available for this compound.