CID 14595700

2-chloro-5-hydroxypyrimidine

Structural Information

Molecular Formula

C₄H₃ClN₂O

SMILES

C1=C(C=NC(=N1)Cl)O

InChI

InChI=1S/C4H3ClN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H

InChIKey

BOGPIHXNWPTGNH-UHFFFAOYSA-N

Compound name

2-chloropyrimidin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 905
Patents: 129.9934 Da
Monoisotopic Mass: 0.8
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]+	131.00068	119.1
[M+Na]+	152.98262	133.7
[M+NH4]+	148.02722	127.8
[M+K]+	168.95656	127.5
[M-H]-	128.98612	119.9
[M+Na-2H]-	150.96807	127.1
[M]+	129.99285	121.6
[M]-	129.99395	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe