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 145.3
[M+Na]+ 252.06066 155.6
[M-H]- 228.06416 142.9
[M+NH4]+ 247.10526 164.0
[M+K]+ 268.03460 150.6
[M+H-H2O]+ 212.06870 137.6
[M+HCOO]- 274.06964 161.4
[M+CH3COO]- 288.08529 185.0
[M+Na-2H]- 250.04611 149.6
[M]+ 229.07089 141.4
[M]- 229.07199 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