CID 621198

148901-52-4

Structural Information

Molecular Formula

C₁₄H₁₀FNOS

SMILES

CSC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3

InChIKey

KIJMTRJIUKHLPE-UHFFFAOYSA-N

Compound name

2-fluoro-6-(4-methylsulfanylphenoxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 259.04672 Da
Monoisotopic Mass: 3.8
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]+	260.05400	158.7
[M+Na]+	282.03594	170.7
[M-H]-	258.03944	164.1
[M+NH4]+	277.08054	174.8
[M+K]+	298.00988	164.9
[M+H-H2O]+	242.04398	144.8
[M+HCOO]-	304.04492	173.8
[M+CH3COO]-	318.06057	205.8
[M+Na-2H]-	280.02139	160.6
[M]+	259.04617	156.1
[M]-	259.04727	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe