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]+ 230.07872 149.5
[M+Na]+ 252.06066 158.5
[M+NH4]+ 247.10526 154.9
[M+K]+ 268.03460 155.5
[M-H]- 228.06416 145.4
[M+Na-2H]- 250.04611 152.4
[M]+ 229.07089 149.3
[M]- 229.07199 149.3
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