CID 68077346

1591741-47-7

Structural Information

Molecular Formula

C₆H₅BrN₄S

SMILES

CSC1=NC=NN2C1=NC=C2Br

InChI

InChI=1S/C6H5BrN4S/c1-12-6-5-8-2-4(7)11(5)10-3-9-6/h2-3H,1H3

InChIKey

GHUKQDXUOSNYOX-UHFFFAOYSA-N

Compound name

7-bromo-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 243.94183 Da
Monoisotopic Mass: 1.5
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]+	244.94911	136.0
[M+Na]+	266.93105	141.1
[M+NH4]+	261.97565	140.9
[M+K]+	282.90499	140.8
[M-H]-	242.93455	135.4
[M+Na-2H]-	264.91650	139.6
[M]+	243.94128	135.8
[M]-	243.94238	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe