CID 82481183

1368789-84-7

Structural Information

Molecular Formula
C9H5N3O2S2
SMILES
C1=CSC(=C1)C2=NN3C(=CSC3=N2)C(=O)O
InChI
InChI=1S/C9H5N3O2S2/c13-8(14)5-4-16-9-10-7(11-12(5)9)6-2-1-3-15-6/h1-4H,(H,13,14)
InChIKey
DXSJRQHKBZLSRO-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.98232 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98960 150.9
[M+Na]+ 273.97154 166.1
[M-H]- 249.97504 157.0
[M+NH4]+ 269.01614 171.7
[M+K]+ 289.94548 162.6
[M+H-H2O]+ 233.97958 146.9
[M+HCOO]- 295.98052 166.7
[M+CH3COO]- 309.99617 165.4
[M+Na-2H]- 271.95699 150.1
[M]+ 250.98177 159.0
[M]- 250.98287 159.0
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.