CID 56604467

1349715-47-4

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

C1=CC(=CC(=C1)C2=NC=C(C=C2)Cl)CO

InChI

InChI=1S/C12H10ClNO/c13-11-4-5-12(14-7-11)10-3-1-2-9(6-10)8-15/h1-7,15H,8H2

InChIKey

DAQFEURCKSCJBE-UHFFFAOYSA-N

Compound name

[3-(5-chloro-2-pyridinyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 219.04509 Da
Monoisotopic Mass: 2.3
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]+	220.052366	144.4
[M+Na]+	242.034308	154.1
[M-H]-	218.037814	148.6
[M+NH4]+	237.078913	161.8
[M+K]+	258.008248	148.4
[M+H-H2O]+	202.042350	137.7
[M+HCOO]-	264.043291	162.2
[M+CH3COO]-	278.058941	157.4
[M+Na-2H]-	240.019756	151.3
[M]+	219.04454142	145.7
[M]-	219.04563858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe