CID 15141958

2,4-dibromothiazole-5-carboxylic acid

Structural Information

Molecular Formula

C₄HBr₂NO₂S

SMILES

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

InChI

InChI=1S/C4HBr2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9)

InChIKey

VHMOYJYPQAAQJZ-UHFFFAOYSA-N

Compound name

2,4-dibromo-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 284.80948 Da
Monoisotopic Mass: 2.9
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]+	285.81676	134.9
[M+Na]+	307.79870	129.0
[M+NH4]+	302.84330	136.6
[M+K]+	323.77264	136.9
[M-H]-	283.80220	134.3
[M+Na-2H]-	305.78415	135.5
[M]+	284.80893	132.9
[M]-	284.81003	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe