CID 122163970

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

Structural Information

Molecular Formula

C₃HBrN₂O₂S

SMILES

C1=C(C(=NS1)Br)[N+](=O)[O-]

InChI

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

InChIKey

URSKGLODXRZCTH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 207.89421 Da
Monoisotopic Mass: 1.8
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	127.3
[M+Na]+	230.88343	129.9
[M+NH4]+	225.92803	132.5
[M+K]+	246.85737	133.3
[M-H]-	206.88693	128.1
[M+Na-2H]-	228.86888	129.9
[M]+	207.89366	126.9
[M]-	207.89476	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe