CID 9991817

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

Structural Information

Molecular Formula
C6H7ClN2O4S
SMILES
CCOC(=O)C1=C(NN=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O4S/c1-2-13-6(10)4-3-8-9-5(4)14(7,11)12/h3H,2H2,1H3,(H,8,9)
InChIKey
LEQLXEAEARQQJL-UHFFFAOYSA-N
Compound name
ethyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 145.8
[M+Na]+ 260.97072 156.2
[M-H]- 236.97422 146.6
[M+NH4]+ 256.01532 163.4
[M+K]+ 276.94466 152.8
[M+H-H2O]+ 220.97876 140.8
[M+HCOO]- 282.97970 157.0
[M+CH3COO]- 296.99535 180.1
[M+Na-2H]- 258.95617 148.0
[M]+ 237.98095 151.1
[M]- 237.98205 151.1
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