CID 11264351

126954-11-8

Structural Information

Molecular Formula
C10H9F3N2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C(F)(F)F)N
InChI
InChI=1S/C10H9F3N2/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,15H,14H2
InChIKey
TZQBOSKCYLEGAX-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07178 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.079056 140.8
[M+Na]+ 237.060998 150.3
[M-H]- 213.064504 139.0
[M+NH4]+ 232.105603 160.0
[M+K]+ 253.034938 145.4
[M+H-H2O]+ 197.069040 132.5
[M+HCOO]- 259.069981 159.1
[M+CH3COO]- 273.085631 185.6
[M+Na-2H]- 235.046446 146.2
[M]+ 214.07123142 134.9
[M]- 214.07232858 134.9
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.