CID 73012534

1823314-91-5

Structural Information

Molecular Formula

C₈H₅BrN₂OS

SMILES

C1=CC2=C(C=C1C(=O)N)N=C(S2)Br

InChI

InChI=1S/C8H5BrN2OS/c9-8-11-5-3-4(7(10)12)1-2-6(5)13-8/h1-3H,(H2,10,12)

InChIKey

SGXRCWFBFQQJEA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.9306 Da
Monoisotopic Mass: 2.3
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]+	256.937876	137.3
[M+Na]+	278.919818	152.2
[M-H]-	254.923324	144.2
[M+NH4]+	273.964423	160.1
[M+K]+	294.893758	140.0
[M+H-H2O]+	238.927860	137.8
[M+HCOO]-	300.928801	155.6
[M+CH3COO]-	314.944451	153.5
[M+Na-2H]-	276.905266	143.4
[M]+	255.93005142	158.6
[M]-	255.93114858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.