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 144.3
[M+Na]+ 260.97072 156.3
[M-H]- 236.97422 145.8
[M+NH4]+ 256.01532 162.4
[M+K]+ 276.94466 152.8
[M+H-H2O]+ 220.97876 140.0
[M+HCOO]- 282.97970 155.5
[M+CH3COO]- 296.99535 183.3
[M+Na-2H]- 258.95617 145.3
[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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.