CID 118988911

2-(bromomethyl)-5-fluoropyrimidine

Structural Information

Molecular Formula

C₅H₄BrFN₂

SMILES

C1=C(C=NC(=N1)CBr)F

InChI

InChI=1S/C5H4BrFN2/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H2

InChIKey

NAUMXARDVGJYKK-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-5-fluoropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.9542 Da
Monoisotopic Mass: 0.9
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]+	190.96148	131.8
[M+Na]+	212.94342	135.8
[M+NH4]+	207.98802	136.3
[M+K]+	228.91736	135.4
[M-H]-	188.94692	130.7
[M+Na-2H]-	210.92887	136.0
[M]+	189.95365	130.8
[M]-	189.95475	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.