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

24
Patents

214.07178 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.079056 139.6
[M+Na]+ 237.060998 151.7
[M-H]- 213.064504 138.5
[M+NH4]+ 232.105603 159.6
[M+K]+ 253.034938 145.8
[M+H-H2O]+ 197.069040 131.3
[M+HCOO]- 259.069981 160.4
[M+CH3COO]- 273.085631 188.6
[M+Na-2H]- 235.046446 143.3
[M]+ 214.07123142 136.1
[M]- 214.07232858 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