CID 165804910

5-chloro-7-(trifluoromethoxy)-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₅ClF₃NO₂

SMILES

C1=C(C=C(C2=C1C(=CN2)C=O)OC(F)(F)F)Cl

InChI

InChI=1S/C10H5ClF3NO2/c11-6-1-7-5(4-16)3-15-9(7)8(2-6)17-10(12,13)14/h1-4,15H

InChIKey

FAQQHPBHKQAMAJ-UHFFFAOYSA-N

Compound name

5-chloro-7-(trifluoromethoxy)-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.9961 Da
Monoisotopic Mass: 3.3
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]+	264.003376	147.7
[M+Na]+	285.985318	161.0
[M-H]-	261.988824	147.0
[M+NH4]+	281.029923	166.8
[M+K]+	301.959258	154.7
[M+H-H2O]+	245.993360	140.4
[M+HCOO]-	307.994301	162.5
[M+CH3COO]-	322.009951	189.8
[M+Na-2H]-	283.970766	153.1
[M]+	262.99555142	149.1
[M]-	262.99664858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.