CID 1201389

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

Structural Information

Molecular Formula
C5HClN2O2S2
SMILES
C1(=C(SC2=C1SN=N2)Cl)C(=O)O
InChI
InChI=1S/C5HClN2O2S2/c6-3-1(5(9)10)2-4(11-3)7-8-12-2/h(H,9,10)
InChIKey
SULMCWUDFGQREH-UHFFFAOYSA-N
Compound name
5-chlorothieno[2,3-d]thiadiazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.9168 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.92408 139.1
[M+Na]+ 242.90602 153.4
[M-H]- 218.90952 142.1
[M+NH4]+ 237.95062 161.3
[M+K]+ 258.87996 149.1
[M+H-H2O]+ 202.91406 136.0
[M+HCOO]- 264.91500 148.4
[M+CH3COO]- 278.93065 153.4
[M+Na-2H]- 240.89147 139.6
[M]+ 219.91625 146.3
[M]- 219.91735 146.3
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