CID 3061981

80100-26-1

Structural Information

Molecular Formula

C₁₂H₈ClF₂NO

SMILES

C1=CC(=C(N=C1)Cl)C(C2=C(C=C(C=C2)F)F)O

InChI

InChI=1S/C12H8ClF2NO/c13-12-9(2-1-5-16-12)11(17)8-4-3-7(14)6-10(8)15/h1-6,11,17H

InChIKey

DETCBKIOSVYTIW-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-(2,4-difluorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 255.02625 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]+	256.03353	148.7
[M+Na]+	278.01547	159.2
[M-H]-	254.01897	150.7
[M+NH4]+	273.06007	164.8
[M+K]+	293.98941	153.0
[M+H-H2O]+	238.02351	140.3
[M+HCOO]-	300.02445	163.5
[M+CH3COO]-	314.04010	191.5
[M+Na-2H]-	276.00092	152.6
[M]+	255.02570	147.8
[M]-	255.02680	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe