CID 43140172

2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H4BrNO2S2
SMILES
C1=C(SC(=C1)Br)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C8H4BrNO2S2/c9-6-2-1-5(14-6)7-10-4(3-13-7)8(11)12/h1-3H,(H,11,12)
InChIKey
IDZRHVVOWUHQOR-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.8867 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.89398 140.1
[M+Na]+ 311.87592 156.5
[M-H]- 287.87942 149.2
[M+NH4]+ 306.92052 162.8
[M+K]+ 327.84986 144.3
[M+H-H2O]+ 271.88396 142.0
[M+HCOO]- 333.88490 154.5
[M+CH3COO]- 347.90055 156.6
[M+Na-2H]- 309.86137 142.0
[M]+ 288.88615 163.2
[M]- 288.88725 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.