CID 155823314

2228148-11-4

Structural Information

Molecular Formula

C₆H₆BrFN₂O

SMILES

C1=C(C=NC(=N1)C(CF)O)Br

InChI

InChI=1S/C6H6BrFN2O/c7-4-2-9-6(10-3-4)5(11)1-8/h2-3,5,11H,1H2

InChIKey

DHBCDJYSGOUIPN-UHFFFAOYSA-N

Compound name

1-(5-bromopyrimidin-2-yl)-2-fluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.96475 Da
Monoisotopic Mass: 0.4
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]+	220.97203	134.9
[M+Na]+	242.95397	146.9
[M-H]-	218.95747	136.4
[M+NH4]+	237.99857	153.8
[M+K]+	258.92791	135.9
[M+H-H2O]+	202.96201	133.6
[M+HCOO]-	264.96295	152.3
[M+CH3COO]-	278.97860	182.3
[M+Na-2H]-	240.93942	142.8
[M]+	219.96420	151.7
[M]-	219.96530	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.