CID 10977963

88398-82-7

Structural Information

Molecular Formula

C₇H₉ClN₂O₄S

SMILES

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)Cl

InChI

InChI=1S/C7H9ClN2O4S/c1-3-14-7(11)5-4-9-10(2)6(5)15(8,12)13/h4H,3H2,1-2H3

InChIKey

BXPQVOSHELHKSE-UHFFFAOYSA-N

Compound name

ethyl 5-chlorosulfonyl-1-methylpyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 251.99716 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.00444	153.2
[M+Na]+	274.98638	163.4
[M+NH4]+	270.03098	158.7
[M+K]+	290.96032	159.7
[M-H]-	250.98988	150.7
[M+Na-2H]-	272.97183	155.4
[M]+	251.99661	154.3
[M]-	251.99771	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe