CID 411051

197512-40-6

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

CC(C1=CC=C(C=C1)Cl)(C2=CC=CC=N2)O

InChI

InChI=1S/C13H12ClNO/c1-13(16,12-4-2-3-9-15-12)10-5-7-11(14)8-6-10/h2-9,16H,1H3

InChIKey

MVGXHPOATKRSGF-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-1-pyridin-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.06075 Da
Monoisotopic Mass: 2.5
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]+	234.06803	149.8
[M+Na]+	256.04997	158.6
[M-H]-	232.05347	153.9
[M+NH4]+	251.09457	166.5
[M+K]+	272.02391	153.0
[M+H-H2O]+	216.05801	143.2
[M+HCOO]-	278.05895	165.7
[M+CH3COO]-	292.07460	186.4
[M+Na-2H]-	254.03542	157.5
[M]+	233.06020	150.6
[M]-	233.06130	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe