CID 18363150

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

Structural Information

Molecular Formula
C5H5ClN2O4S
SMILES
COC(=O)C1=C(NN=C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClN2O4S/c1-12-5(9)3-2-7-8-4(3)13(6,10)11/h2H,1H3,(H,7,8)
InChIKey
JUPRTCJWTVXBNZ-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

223.96585 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97313 144.5
[M+Na]+ 246.95507 154.2
[M+NH4]+ 241.99967 150.0
[M+K]+ 262.92901 151.1
[M-H]- 222.95857 141.5
[M+Na-2H]- 244.94052 146.9
[M]+ 223.96530 145.3
[M]- 223.96640 145.3
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