CID 23114857

820224-51-9

Structural Information

Molecular Formula

C₆H₄Cl₂FNO

SMILES

C1=C(C(=NC(=C1F)Cl)Cl)CO

InChI

InChI=1S/C6H4Cl2FNO/c7-5-3(2-11)1-4(9)6(8)10-5/h1,11H,2H2

InChIKey

RLGKFLYWBQHPIA-UHFFFAOYSA-N

Compound name

(2,6-dichloro-5-fluoropyridin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 194.9654 Da
Monoisotopic Mass: 2.0
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]+	195.97268	129.5
[M+Na]+	217.95462	141.5
[M-H]-	193.95812	129.3
[M+NH4]+	212.99922	148.9
[M+K]+	233.92856	136.2
[M+H-H2O]+	177.96266	124.8
[M+HCOO]-	239.96360	141.7
[M+CH3COO]-	253.97925	179.1
[M+Na-2H]-	215.94007	135.1
[M]+	194.96485	131.2
[M]-	194.96595	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe