CID 65397101

Ethyl 4-(chlorosulfonyl)-1-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H10ClNO4S
SMILES
CCOC(=O)C1=CC(=CN1C)S(=O)(=O)Cl
InChI
InChI=1S/C8H10ClNO4S/c1-3-14-8(11)7-4-6(5-10(7)2)15(9,12)13/h4-5H,3H2,1-2H3
InChIKey
PIIKOURGUCCBAO-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.0019 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00918 149.9
[M+Na]+ 273.99112 160.8
[M-H]- 249.99462 153.5
[M+NH4]+ 269.03572 169.3
[M+K]+ 289.96506 157.7
[M+H-H2O]+ 233.99916 145.5
[M+HCOO]- 296.00010 163.2
[M+CH3COO]- 310.01575 187.0
[M+Na-2H]- 271.97657 151.1
[M]+ 251.00135 157.8
[M]- 251.00245 157.8
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