CID 3061983

80100-31-8

Structural Information

Molecular Formula

C₁₂H₉ClFNO

SMILES

C1=CC(=CC=C1C(C2=CN=C(C=C2)Cl)O)F

InChI

InChI=1S/C12H9ClFNO/c13-11-6-3-9(7-15-11)12(16)8-1-4-10(14)5-2-8/h1-7,12,16H

InChIKey

WFNZDDQFMVDKTF-UHFFFAOYSA-N

Compound name

(6-chloropyridin-3-yl)-(4-fluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.03568 Da
Monoisotopic Mass: 2.7
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]+	238.04296	146.5
[M+Na]+	260.02490	156.0
[M-H]-	236.02840	149.4
[M+NH4]+	255.06950	163.0
[M+K]+	275.99884	150.2
[M+H-H2O]+	220.03294	138.9
[M+HCOO]-	282.03388	162.3
[M+CH3COO]-	296.04953	187.7
[M+Na-2H]-	258.01035	151.7
[M]+	237.03513	146.2
[M]-	237.03623	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe