CID 4715086

Thieno[2,3-d][1,2,3]thiadiazole-6-carboxylic acid

Structural Information

Molecular Formula
C5H2N2O2S2
SMILES
C1=C(C2=C(S1)N=NS2)C(=O)O
InChI
InChI=1S/C5H2N2O2S2/c8-5(9)2-1-10-4-3(2)11-7-6-4/h1H,(H,8,9)
InChIKey
FDZNFTUGBZLIHN-UHFFFAOYSA-N
Compound name
thieno[2,3-d]thiadiazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.95576 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.96304 133.0
[M+Na]+ 208.94498 146.1
[M-H]- 184.94848 135.5
[M+NH4]+ 203.98958 155.5
[M+K]+ 224.91892 143.2
[M+H-H2O]+ 168.95302 129.0
[M+HCOO]- 230.95396 147.0
[M+CH3COO]- 244.96961 147.4
[M+Na-2H]- 206.93043 134.4
[M]+ 185.95521 138.4
[M]- 185.95631 138.4
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

patents stripe