CID 84671102

5-chloro-1h-thieno[3,2-c]pyrazole-3-carboxylicacid

Structural Information

Molecular Formula
C6H3ClN2O2S
SMILES
C1=C(SC2=C1NN=C2C(=O)O)Cl
InChI
InChI=1S/C6H3ClN2O2S/c7-3-1-2-5(12-3)4(6(10)11)9-8-2/h1H,(H,8,9)(H,10,11)
InChIKey
RKGYONHPBBZXHT-UHFFFAOYSA-N
Compound name
5-chloro-1H-thieno[3,2-c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.96037 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.96765 137.7
[M+Na]+ 224.94959 149.2
[M+NH4]+ 219.99419 145.7
[M+K]+ 240.92353 145.9
[M-H]- 200.95309 136.9
[M+Na-2H]- 222.93504 140.9
[M]+ 201.95982 139.6
[M]- 201.96092 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.