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

13
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 144.7
[M+Na]+ 260.97072 156.4
[M-H]- 236.97422 147.3
[M+NH4]+ 256.01532 163.3
[M+K]+ 276.94466 153.9
[M+H-H2O]+ 220.97876 139.8
[M+HCOO]- 282.97970 157.4
[M+CH3COO]- 296.99535 183.8
[M+Na-2H]- 258.95617 146.8
[M]+ 237.98095 152.2
[M]- 237.98205 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