CID 2737295

175204-10-1

Structural Information

Molecular Formula

C₁₄H₉ClFNO

SMILES

C1=CC(=C(C(=C1)F)C#N)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H9ClFNO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2

InChIKey

UCZCRTPNBWBCBM-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 261.03568 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]+	262.04296	155.1
[M+Na]+	284.02490	167.7
[M-H]-	260.02840	159.6
[M+NH4]+	279.06950	171.1
[M+K]+	299.99884	160.2
[M+H-H2O]+	244.03294	141.7
[M+HCOO]-	306.03388	170.9
[M+CH3COO]-	320.04953	205.8
[M+Na-2H]-	282.01035	159.4
[M]+	261.03513	152.4
[M]-	261.03623	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe