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

31
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 139.6
[M+Na]+ 237.06100 151.7
[M-H]- 213.06450 138.5
[M+NH4]+ 232.10560 159.6
[M+K]+ 253.03494 145.8
[M+H-H2O]+ 197.06904 131.3
[M+HCOO]- 259.06998 160.4
[M+CH3COO]- 273.08563 188.6
[M+Na-2H]- 235.04645 143.3
[M]+ 214.07123 136.1
[M]- 214.07233 136.1
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