CID 75176234

1227502-97-7

Structural Information

Molecular Formula

C₇H₅ClF₃NO

SMILES

C1=CN=C(C(=C1C(F)(F)F)CO)Cl

InChI

InChI=1S/C7H5ClF3NO/c8-6-4(3-13)5(1-2-12-6)7(9,10)11/h1-2,13H,3H2

InChIKey

FNEOFCQITLTNEO-UHFFFAOYSA-N

Compound name

[2-chloro-4-(trifluoromethyl)pyridin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.00117 Da
Monoisotopic Mass: 1.8
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]+	212.00845	140.5
[M+Na]+	233.99039	150.8
[M+NH4]+	229.03499	146.2
[M+K]+	249.96433	145.7
[M-H]-	209.99389	136.8
[M+Na-2H]-	231.97584	145.0
[M]+	211.00062	140.9
[M]-	211.00172	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe