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]+ 216.06308 140.6
[M+Na]+ 238.04502 150.4
[M-H]- 214.04852 138.0
[M+NH4]+ 233.08962 159.6
[M+K]+ 254.01896 145.6
[M+H-H2O]+ 198.05306 132.8
[M+HCOO]- 260.05400 157.1
[M+CH3COO]- 274.06965 180.8
[M+Na-2H]- 236.03047 146.1
[M]+ 215.05525 135.9
[M]- 215.05635 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.