CID 98463948

4-(chlorosulfonyl)-1,5-dimethyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C6H7ClN2O4S
SMILES
CC1=C(C(=NN1C)C(=O)O)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O4S/c1-3-5(14(7,12)13)4(6(10)11)8-9(3)2/h1-2H3,(H,10,11)
InChIKey
PGAIMINCJFLYCN-UHFFFAOYSA-N
Compound name
4-chlorosulfonyl-1,5-dimethylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.9815 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98878 149.5
[M+Na]+ 260.97072 159.6
[M+NH4]+ 256.01532 154.7
[M+K]+ 276.94466 156.7
[M-H]- 236.97422 146.5
[M+Na-2H]- 258.95617 151.1
[M]+ 237.98095 150.4
[M]- 237.98205 150.4
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.