CID 43156461

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

Structural Information

Molecular Formula
C8H5NO2S2
SMILES
C1=CSC=C1C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C8H5NO2S2/c10-8(11)6-3-9-7(13-6)5-1-2-12-4-5/h1-4H,(H,10,11)
InChIKey
VGZDKHKEXMWAFI-UHFFFAOYSA-N
Compound name
2-thiophen-3-yl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.97617 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98345 142.3
[M+Na]+ 233.96539 154.1
[M-H]- 209.96889 148.3
[M+NH4]+ 229.00999 163.8
[M+K]+ 249.93933 150.3
[M+H-H2O]+ 193.97343 137.5
[M+HCOO]- 255.97437 158.1
[M+CH3COO]- 269.99002 156.5
[M+Na-2H]- 231.95084 141.6
[M]+ 210.97562 146.7
[M]- 210.97672 146.7
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.