CID 3467103

2,2,2-trifluoro-1-(5-methyl-1h-indol-3-yl)ethanol

Structural Information

Molecular Formula
C11H10F3NO
SMILES
CC1=CC2=C(C=C1)NC=C2C(C(F)(F)F)O
InChI
InChI=1S/C11H10F3NO/c1-6-2-3-9-7(4-6)8(5-15-9)10(16)11(12,13)14/h2-5,10,15-16H,1H3
InChIKey
GVUZWDIAOFAGTO-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(5-methyl-1H-indol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.07144 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.078716 145.3
[M+Na]+ 252.060658 155.6
[M-H]- 228.064164 142.9
[M+NH4]+ 247.105263 164.0
[M+K]+ 268.034598 150.6
[M+H-H2O]+ 212.068700 137.6
[M+HCOO]- 274.069641 161.4
[M+CH3COO]- 288.085291 185.0
[M+Na-2H]- 250.046106 149.6
[M]+ 229.07089142 141.4
[M]- 229.07198858 141.4
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