CID 931809

115027-06-0

Structural Information

Molecular Formula

C₁₀H₇ClFNO

SMILES

C1=CC2=C(C=C1F)C(=CN2)C(=O)CCl

InChI

InChI=1S/C10H7ClFNO/c11-4-10(14)8-5-13-9-2-1-6(12)3-7(8)9/h1-3,5,13H,4H2

InChIKey

HXIFGVNMNJLYBW-UHFFFAOYSA-N

Compound name

2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 211.02002 Da
Monoisotopic Mass: 2.8
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]+	212.02730	139.3
[M+Na]+	234.00924	151.0
[M-H]-	210.01274	140.6
[M+NH4]+	229.05384	160.2
[M+K]+	249.98318	145.0
[M+H-H2O]+	194.01728	133.4
[M+HCOO]-	256.01822	156.6
[M+CH3COO]-	270.03387	182.3
[M+Na-2H]-	231.99469	144.5
[M]+	211.01947	141.1
[M]-	211.02057	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe