CID 43314601

4-bromothieno[3,2-d]pyrimidine

Structural Information

Molecular Formula

C₆H₃BrN₂S

SMILES

C1=CSC2=C1N=CN=C2Br

InChI

InChI=1S/C6H3BrN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H

InChIKey

DNTCHXURFZZYED-UHFFFAOYSA-N

Compound name

4-bromothieno[3,2-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.92003 Da
Monoisotopic Mass: 1.9
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]+	214.92731	125.8
[M+Na]+	236.90925	131.0
[M+NH4]+	231.95385	132.3
[M+K]+	252.88319	130.3
[M-H]-	212.91275	126.7
[M+Na-2H]-	234.89470	130.7
[M]+	213.91948	126.1
[M]-	213.92058	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.