CID 10822552

5-methoxy-6-(trifluoromethyl)-1h-indole

Structural Information

Molecular Formula

C₁₀H₈F₃NO

SMILES

COC1=C(C=C2C(=C1)C=CN2)C(F)(F)F

InChI

InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3

InChIKey

KNMAZUXTEPXPOM-UHFFFAOYSA-N

Compound name

5-methoxy-6-(trifluoromethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 215.0558 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.06308	145.4
[M+Na]+	238.04502	155.4
[M+NH4]+	233.08962	151.5
[M+K]+	254.01896	151.6
[M-H]-	214.04852	142.0
[M+Na-2H]-	236.03047	149.4
[M]+	215.05525	145.7
[M]-	215.05635	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe