CID 84671102

1780313-68-9

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 137.3
[M+Na]+ 224.94959 150.4
[M-H]- 200.95309 138.6
[M+NH4]+ 219.99419 159.1
[M+K]+ 240.92353 145.8
[M+H-H2O]+ 184.95763 133.4
[M+HCOO]- 246.95857 150.1
[M+CH3COO]- 260.97422 151.3
[M+Na-2H]- 222.93504 138.9
[M]+ 201.95982 142.0
[M]- 201.96092 142.0
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.