CID 59238466

912639-91-9

Structural Information

Molecular Formula

C₄H₃BrN₂OS

SMILES

C1=C(N=C(S1)C(=O)N)Br

InChI

InChI=1S/C4H3BrN2OS/c5-2-1-9-4(7-2)3(6)8/h1H,(H2,6,8)

InChIKey

BZULRTZCBCPPKA-UHFFFAOYSA-N

Compound name

4-bromo-1,3-thiazole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 205.91495 Da
Monoisotopic Mass: 1.2
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]+	206.92223	127.0
[M+Na]+	228.90417	128.1
[M+NH4]+	223.94877	131.8
[M+K]+	244.87811	129.8
[M-H]-	204.90767	126.7
[M+Na-2H]-	226.88962	129.1
[M]+	205.91440	126.0
[M]-	205.91550	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe