CID 75233

5-bromocytosine

Structural Information

Molecular Formula

C₄H₄BrN₃O

SMILES

C1=NC(=O)NC(=C1Br)N

InChI

InChI=1S/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

InChIKey

QFVKLKDEXOWFSL-UHFFFAOYSA-N

Compound name

6-amino-5-bromo-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 4684
Patents: 188.95377 Da
Monoisotopic Mass: -0.3
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]+	189.96105	125.1
[M+Na]+	211.94299	138.3
[M-H]-	187.94649	127.9
[M+NH4]+	206.98759	144.9
[M+K]+	227.91693	126.4
[M+H-H2O]+	171.95103	124.4
[M+HCOO]-	233.95197	145.5
[M+CH3COO]-	247.96762	177.6
[M+Na-2H]-	209.92844	134.4
[M]+	188.95322	140.8
[M]-	188.95432	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe