CID 21692180

Methyl 5-(chlorosulfonyl)-3-methyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C6H7ClN2O4S
SMILES
CC1=C(C(=NN1)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C6H7ClN2O4S/c1-3-4(6(10)13-2)5(9-8-3)14(7,11)12/h1-2H3,(H,8,9)
InChIKey
YVQPLHRRAPOQAZ-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-5-methyl-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.9815 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98878 149.2
[M+Na]+ 260.97072 159.0
[M+NH4]+ 256.01532 154.5
[M+K]+ 276.94466 155.9
[M-H]- 236.97422 146.1
[M+Na-2H]- 258.95617 151.0
[M]+ 237.98095 150.0
[M]- 237.98205 150.0
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

patents stripe