CID 135743710

6-bromopyrimidin-4-ol

Structural Information

Molecular Formula

C₄H₃BrN₂O

SMILES

C1=C(N=CNC1=O)Br

InChI

InChI=1S/C4H3BrN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)

InChIKey

ZJTSUBVUTCTJNX-UHFFFAOYSA-N

Compound name

4-bromo-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 173.94289 Da
Monoisotopic Mass: 0.2
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]+	174.950166	120.6
[M+Na]+	196.932108	134.0
[M-H]-	172.935614	123.7
[M+NH4]+	191.976713	141.4
[M+K]+	212.906048	123.0
[M+H-H2O]+	156.940150	120.7
[M+HCOO]-	218.941091	140.8
[M+CH3COO]-	232.956741	172.6
[M+Na-2H]-	194.917556	131.5
[M]+	173.94234142	137.8
[M]-	173.94343858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe