CID 50896753

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

Structural Information

Molecular Formula
C6H7ClN2O4S
SMILES
CN1C(=CC(=N1)C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O4S/c1-9-5(14(7,11)12)3-4(8-9)6(10)13-2/h3H,1-2H3
InChIKey
UHTIJWIODPIPDC-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.9815 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.988776 144.7
[M+Na]+ 260.970718 156.4
[M-H]- 236.974224 147.3
[M+NH4]+ 256.015323 163.3
[M+K]+ 276.944658 153.9
[M+H-H2O]+ 220.978760 139.8
[M+HCOO]- 282.979701 157.4
[M+CH3COO]- 296.995351 183.8
[M+Na-2H]- 258.956166 146.8
[M]+ 237.98095142 152.2
[M]- 237.98204858 152.2
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