CID 21071570

2-(5,6,7-trifluoro-1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C10H9F3N2
SMILES
C1=C2C(=CNC2=C(C(=C1F)F)F)CCN
InChI
InChI=1S/C10H9F3N2/c11-7-3-6-5(1-2-14)4-15-10(6)9(13)8(7)12/h3-4,15H,1-2,14H2
InChIKey
CVQWCGCDFNERKS-UHFFFAOYSA-N
Compound name
2-(5,6,7-trifluoro-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

214.07178 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07906 143.5
[M+Na]+ 237.06100 153.4
[M+NH4]+ 232.10560 149.6
[M+K]+ 253.03494 149.0
[M-H]- 213.06450 141.2
[M+Na-2H]- 235.04645 146.9
[M]+ 214.07123 143.9
[M]- 214.07233 143.9
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

patents stripe