CID 18211

2-bromo-5-nitrothiazole

Structural Information

Molecular Formula

C₃HBrN₂O₂S

SMILES

C1=C(SC(=N1)Br)[N+](=O)[O-]

InChI

InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H

InChIKey

ANIJFZVZXZQFDH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 519
Patents: 207.89421 Da
Monoisotopic Mass: 2.2
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]+	208.90149	125.2
[M+Na]+	230.88343	138.7
[M-H]-	206.88693	131.6
[M+NH4]+	225.92803	148.2
[M+K]+	246.85737	124.6
[M+H-H2O]+	190.89147	129.7
[M+HCOO]-	252.89241	145.0
[M+CH3COO]-	266.90806	173.6
[M+Na-2H]-	228.86888	133.1
[M]+	207.89366	144.3
[M]-	207.89476	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe