CID 3061980

80100-23-8

Structural Information

Molecular Formula

C₁₂H₁₀ClNO

SMILES

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

InChI

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

InChIKey

DFZYQRVGTKIAOU-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 219.04509 Da
Monoisotopic Mass: 2.6
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]+	220.05237	144.3
[M+Na]+	242.03431	152.8
[M-H]-	218.03781	148.3
[M+NH4]+	237.07891	161.3
[M+K]+	258.00825	147.5
[M+H-H2O]+	202.04235	137.5
[M+HCOO]-	264.04329	161.2
[M+CH3COO]-	278.05894	156.8
[M+Na-2H]-	240.01976	150.8
[M]+	219.04454	144.7
[M]-	219.04564	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe