CID 107165

Cronaxil

Structural Information

Molecular Formula

C₁₈H₁₄ClNO

SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)(C3=CC=NC=C3)O

InChI

InChI=1S/C18H14ClNO/c19-17-8-6-15(7-9-17)18(21,14-4-2-1-3-5-14)16-10-12-20-13-11-16/h1-13,21H

InChIKey

XQYQSCYDDPMDFG-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-phenyl-pyridin-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.0764 Da
Monoisotopic Mass: 3.8
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]+	296.08368	167.1
[M+Na]+	318.06562	175.0
[M-H]-	294.06912	173.8
[M+NH4]+	313.11022	180.5
[M+K]+	334.03956	167.7
[M+H-H2O]+	278.07366	158.4
[M+HCOO]-	340.07460	182.5
[M+CH3COO]-	354.09025	178.0
[M+Na-2H]-	316.05107	174.5
[M]+	295.07585	167.1
[M]-	295.07695	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe