CID 20328604

848499-31-0

Structural Information

Molecular Formula

C₄H₃BrN₂OS

SMILES

C1=C(SC(=N1)Br)C(=O)N

InChI

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

InChIKey

RXTGRIUBDYHCKY-UHFFFAOYSA-N

Compound name

2-bromo-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
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	125.8
[M+Na]+	228.90417	139.3
[M-H]-	204.90767	131.5
[M+NH4]+	223.94877	149.1
[M+K]+	244.87811	128.2
[M+H-H2O]+	188.91221	125.8
[M+HCOO]-	250.91315	143.9
[M+CH3COO]-	264.92880	180.7
[M+Na-2H]-	226.88962	130.4
[M]+	205.91440	144.7
[M]-	205.91550	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe