CID 46835542

1263280-39-2

Structural Information

Molecular Formula
C10H8F3NO
SMILES
C1=CC2=C(C(=C1)C(C(F)(F)F)O)NC=C2
InChI
InChI=1S/C10H8F3NO/c11-10(12,13)9(15)7-3-1-2-6-4-5-14-8(6)7/h1-5,9,14-15H
InChIKey
OCSJDSSFVBWSFW-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1H-indol-7-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.063076 140.6
[M+Na]+ 238.045018 150.4
[M-H]- 214.048524 138.0
[M+NH4]+ 233.089623 159.6
[M+K]+ 254.018958 145.6
[M+H-H2O]+ 198.053060 132.8
[M+HCOO]- 260.054001 157.1
[M+CH3COO]- 274.069651 180.8
[M+Na-2H]- 236.030466 146.1
[M]+ 215.05525142 135.9
[M]- 215.05634858 135.9
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.